SDF/Mol File of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde (C8H12O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde Molecule

• Chemical structure of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde is available in chemical structure page of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde

  The molecular weight of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde is available in molecular weight page of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde, 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 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde

  The chemical formula of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde is given in chemical formula page of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde, 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 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde is:

  InChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2/t8-/m1/s1

  It can provide a standard way to encode the molecular information of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde 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 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde is:

  InChIKey=UPVGDGITFOERJA-MRVPVSSYSA-N

  The InChIKey may allow easier web searches for 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde, but it needs to be linked to the full InChI to get back to the original structure of the 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde

  The 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde including the registry numbers are listed below, if available:

  
  
  None available.

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2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde Identification Summary Frequently Asked Questions (FAQs)

What’s the 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde formula?
C8H12O
How many atoms and what elements are included in the 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde molecule?
21 atom(s) - 12 Hydrogen atom(s), 8 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde structure?
21 bond(s) - 9 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 1 six-membered ring(s), and 1 aldehyde(s) (aliphatic)
What’s the 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde’s molar mass?
124.18028 g/mol
What’s the SMILES structure of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde?
O=CCC1CCC=CC1
What’s the InChI code of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde?
InChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2/t8-/m1/s1
What’s the InChIKey format of 2-[(1S)-cyclohex-3-en-1-yl]acetaldehyde?
UPVGDGITFOERJA-MRVPVSSYSA-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).