Home SDF/Mol File This Compound
loading

SDF/Mol File of (-)-Borneol (C10H18O)

Identification of (-)-Borneol Chemical Compound

2D chemical structure image of (-)-Borneol
Chemical Formula C10H18O
Molecular Weight 154.24932 g/mol
IUPAC Name (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILES String CC1(C)C2CCC1(C)C(O)C2
InChI InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKey DTGKSKDOIYIVQL-QXFUBDJGSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (-)-Borneol is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (-)-Borneol molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of (-)-Borneol
Ball-and-stick model of (-)-Borneol

chemical table area

loading image

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying (-)-Borneol Molecule

  • Chemical structure of (-)-Borneol

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (-)-Borneol is available in chemical structure page of (-)-Borneol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of (-)-Borneol

    The molecular weight of (-)-Borneol is available in molecular weight page of (-)-Borneol, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of (-)-Borneol

    The chemical formula of (-)-Borneol is given in chemical formula page of (-)-Borneol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of (-)-Borneol

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of (-)-Borneol is:

    InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1

    It can provide a standard way to encode the molecular information of (-)-Borneol to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (-)-Borneol is:

    InChIKey=DTGKSKDOIYIVQL-QXFUBDJGSA-N

    The InChIKey may allow easier web searches for (-)-Borneol, but it needs to be linked to the full InChI to get back to the original structure of the (-)-Borneol since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of (-)-Borneol

    The (-)-Borneol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (-)-Borneol including the registry numbers are listed below, if available:

    • EN300-105274
    • 95650-45-6
    • Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, (1S,2R,4S)-
    • Z1705831809
    • endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
    • (-)-Borneol, predominantly endo, 97%
    • Borneol (contains ca. 20% Isoborneol)
    • MFCD00066426
    • 9120AF
    • (-)-Borneol, analytical standard
    • BDBM36266
    • (1R,3R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
    • (-)-Borneol, 99%
    • (1S,2R,4S)-borneol
    • Borneol, (-)-
    • L -Borneol
    • 1Y84986J9Q
    • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2R,4S)-
    • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1S,2R,4S)-
    • (1S,2R,4S)-(-)-Borneol
    • (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol
    • CAS-464-45-9
    • Borneol, (1S,2R,4S)-(-)-
    • (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    • 507-70-0
    • MFCD00003759
    • l-2-Bornanol
    • l-2-Camphanol
    • 1-Bornyl alcohol
    • NGAI camphor
    • [(1s)-endo]-(-)-borneol
    • Linderol
    • L-Borneol
    • Borneol
    • 464-45-9
    • (-)-Borneol

(-)-Borneol Identification Summary Frequently Asked Questions (FAQs)

What’s the (-)-Borneol formula?
C10H18O
How many atoms and what elements are included in the (-)-Borneol molecule?
29 atom(s) - 18 Hydrogen atom(s), 10 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the (-)-Borneol structure?
30 bond(s) - 12 non-H bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 hydroxyl group(s), and 1 secondary alcohol(s)
What’s the (-)-Borneol’s molar mass?
154.24932 g/mol
What’s the SMILES structure of (-)-Borneol?
CC1(C)C2CCC1(C)C(O)C2
What’s the InChI code of (-)-Borneol?
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
What’s the InChIKey format of (-)-Borneol?
DTGKSKDOIYIVQL-QXFUBDJGSA-N

496 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

Subscribe to our newsletter

Join our subscribers list to get the latest news, updates and special offers delivered directly in your inbox.