Basic information
- CAS
807377-98-6- Standard SMILES
CC1(C)CCCC1(C)C1=CCC(=O)CC1- InChIKey
SOXSSIBKLPHCDA-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 4-(1,2,2-Trimethylcyclopentyl)cyclohex-3-en-1-one
- IUPAC
- 4-(1,2,2-trimethylcyclopentyl)cyclohex-3-en-1-one
- English name
- 3-Cyclohexen-1-one,4-(1,2,2-trimethylcyclopentyl)-(9CI)
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
807377-98-6DB-2829333-Cyclohexen-1-one, 4-(1,2,2-trimethylcyclopentyl)-3-Cyclohexen-1-one,4-(1,2,2-trimethylcyclopentyl)-(9CI)
Database identifiers
- CAS
807377-98-6- PubChem CID
- 11252747
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 283.8 · 283.8±9.0 °C(Predicted)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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