Basic information
- CAS
7252-01-9- Standard SMILES
OC1=CC(C2CCCCC2)CC(O)=C1- InChIKey
NXQQGUQXPDHQNR-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 1,1'-Bi(cyclohexane)-2,4-diene-3,5-diol
- IUPAC
- 5-cyclohexylcyclohexa-1,3-diene-1,3-diol
Names & synonyms
7252-01-91,1'-bi(cyclohexane)-2,4-diene-3,5-diolNSC15270DTXSID80280060NSC-15270[[1,1'-Bi(cyclohexane)]-2,4-diene]-3,5-diol
Database identifiers
- CAS
7252-01-9- PubChem CID
- 225660
- DTXSID
DTXSID80280060
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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