Basic information
- CAS
110202-08-9- Standard SMILES
CC(=CCCO)CCC1=C(C)CCCC1(C)C- InChIKey
KPAPKRAHTYQTRQ-UHFFFAOYSA-N- Molecular formula
- C16H28O
- Average molar mass
- 236.39 g/mol
- Monoisotopic mass
- 236.21401551
Names & identifiers
- Preferred name
- 3-Hexen-1-ol, 4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)-
- IUPAC
- 4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-en-1-ol
Names & synonyms
110202-08-93-Hexen-1-ol, 4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)-SCHEMBL9016180DTXSID903429664-Methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hex-3-en-1-ol
Database identifiers
- CAS
110202-08-9- PubChem CID
- 586249
- DTXSID
DTXSID90342966
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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