Basic information
- CAS
56974-03-9- Standard SMILES
C=CCCC(=O)C1=CC(C)CC(C)(C)C1- InChIKey
YSSPNGUMZKBWDM-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-(3,5,5-Trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one
- IUPAC
- 1-(3,5,5-trimethylcyclohexen-1-yl)pent-4-en-1-one
- English name
- 1-(3,5,5-trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one
- Molecular formula
- C14H22O
- Molecular weight
- 206.32388
Names & synonyms
56974-03-91-(3,5,5-Trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one1-(3,5,5-trimethylcyclohex-1-en-1-yl)pent-4-en-1-oneEINECS 260-487-2SCHEMBL11378755DTXSID00972450YSSPNGUMZKBWDM-UHFFFAOYSA-NDB-306114DB-322406NS000539684-Penten-1-one,1-(3,3-dimethylcyclohexyl)-1-(3,5,5-Trimethyl-1-cyclohexen-1-yl)-4-penten-1-one
Database identifiers
- CAS
56974-03-9- PubChem CID
- 92607
- DTXSID
DTXSID00972450- EC Number
- 260-487-2
- Nikkaji
- J267.158A
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
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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