SDF/Mol File of (-)-Borneol (C10H18O)
Identification of (-)-Borneol Chemical Compound
Chemical Formula | C10H18O |
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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.
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- CAS #: 64-17-5
- Formula: C2H5OH
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying (-)-Borneol Molecule
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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.
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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.
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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.
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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.
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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? |
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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 |
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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).