SDF/Mol File of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene (C12H14)

Structure Data File (SDF/MOL File) Description

---

chemical table area

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene Molecule

• Chemical structure of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene is available in chemical structure page of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene

  The molecular weight of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene is available in molecular weight page of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene, 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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene

  The chemical formula of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene is given in chemical formula page of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene, 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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene is:

  InChI=1S/C12H14/c1-2-6-12-8-4-3-7-11(12,5-1)9-10-12/h1-2,5-6,9-10H,3-4,7-8H2/t11-,12+

  It can provide a standard way to encode the molecular information of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene 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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene is:

  InChIKey=PATIUEOBXCLCSQ-TXEJJXNPSA-N

  The InChIKey may allow easier web searches for (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene, but it needs to be linked to the full InChI to get back to the original structure of the (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene

  The (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene including the registry numbers are listed below, if available:

  
  
  None available.

---

(1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene Identification Summary Frequently Asked Questions (FAQs)

What’s the (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene formula?
C12H14
How many atoms and what elements are included in the (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene molecule?
26 atom(s) - 14 Hydrogen atom(s) and 12 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene structure?
28 bond(s) - 14 non-H bond(s), 3 multiple bond(s), 3 double bond(s), 1 four-membered ring(s), 2 six-membered ring(s), 2 eight-membered ring(s), and 1 ten-membered ring(s)
What’s the (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene’s molar mass?
158.23956 g/mol
What’s the SMILES structure of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene?
C2CCC13C=CC=CC1(C2)C=C3
What’s the InChI code of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene?
InChI=1S/C12H14/c1-2-6-12-8-4-3-7-11(12,5-1)9-10-12/h1-2,5-6,9-10H,3-4,7-8H2/t11-,12+
What’s the InChIKey format of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene?
PATIUEOBXCLCSQ-TXEJJXNPSA-N

35 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).