Basic information
- CAS
56974-04-0- Standard SMILES
C=CCCC(=O)C1=CC(C)(C)CC(C)C1- InChIKey
PLNUVHGSLMJVPB-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1-(3,3,5-Trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one
- IUPAC
- 1-(3,3,5-trimethylcyclohexen-1-yl)pent-4-en-1-one
- English name
- 1-(3,3,5-trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
56974-04-01-(3,3,5-Trimethyl-1-cyclohexen-1-yl)pent-4-en-1-oneEINECS 260-488-81-(3,3,5-trimethylcyclohex-1-en-1-yl)pent-4-en-1-oneSCHEMBL11369856DTXSID60972451DB-300478NS000539821-(3,3,5-trimethyl-cyclohex-1-en-1-yl)-pent-4-en-1-one1-(3,3,5-Trimethyl-1-cyclohexen-1-yl)-4-penten-1-one4-Penten-1-one, 1-(3,3,5-trimethyl-1-cyclohexen-1-yl)-
Database identifiers
- CAS
56974-04-0- PubChem CID
- 92608
- DTXSID
DTXSID60972451- EC Number
- 260-488-8
- Nikkaji
- J267.159J
Properties
Computed structural properties
- XLogP
- 4
- 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
Physicochemical properties
- Boiling point
- 280 · 280.0±29.0 °C(Predicted)
- Density
- 0.889 · 0.889±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
3 records
Compound notes
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