1-(5,5-Dimethyl-1-cyclohexen-1-yl)-3-methylpent-4-en-1-one
Basic information
- CAS
56974-07-3- Standard SMILES
C=CC(C)CC(=O)C1=CCCC(C)(C)C1- InChIKey
UUQUGOSCTSPPIO-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Overview
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Names & identifiers
- Preferred name
- 1-(5,5-Dimethyl-1-cyclohexen-1-yl)-3-methylpent-4-en-1-one
- IUPAC
- 1-(5,5-dimethylcyclohexen-1-yl)-3-methylpent-4-en-1-one
- English name
- 1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methylpent-4-en-1-one
- Molecular formula
- C14H22O
- Molecular weight
- 206.32388
Names & synonyms
56974-07-31-(5,5-Dimethyl-1-cyclohexen-1-yl)-3-methylpent-4-en-1-oneEINECS 260-490-91-(5,5-dimethylcyclohex-1-en-1-yl)-3-methylpent-4-en-1-oneSCHEMBL11373284DTXSID20972452UUQUGOSCTSPPIO-UHFFFAOYSA-NDB-300694NS000539831-(5,5-Dimethyl-1-cyclohexen-1-yl)-3-methyl-4-penten-1-one
Database identifiers
- CAS
56974-07-3- PubChem CID
- 92610
- DTXSID
DTXSID20972452- EC Number
- 260-490-9
- Nikkaji
- J267.161A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
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Compound notes
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