Basic information
- CAS
6966-68-3- Standard SMILES
CC1=CC(O)(C2(O)C=C(C)CC(C)(C)C2)CC(C)(C)C1- InChIKey
CBBUQJJELRASKJ-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Names & identifiers
- Preferred name
- 1-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-ol
- IUPAC
- 1-(1-hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-ol
Names & synonyms
6966-68-31-(1-hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-olNSC68052DTXSID00290328NSC-68052AKOS024323126ST504433651,1'-BIS-(3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL)3,3',5,5,5',5'-Hexamethyl[1,1'-bi(cyclohex-2-ene)]-1,1'-diol
Database identifiers
- CAS
6966-68-3- PubChem CID
- 249596
- DTXSID
DTXSID00290328- Nikkaji
- J293.107I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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