Basic information
- CAS
93175-78-1- Standard SMILES
CC(=O)C=C(C)C1C(C)=CCCC1(C)C- InChIKey
PSLHSYRVWGKZHP-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 3-Penten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-
- IUPAC
- 4-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-3-en-2-one
Names & synonyms
93175-78-13-Penten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-SCHEMBL16174453DTXSID003428714-(2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL)PENT-3-EN-2-ONENS00095821
Database identifiers
- CAS
93175-78-1- PubChem CID
- 585271
- DTXSID
DTXSID00342871
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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