Basic information
- CAS
55702-54-0- Standard SMILES
C=CC(C(C)=O)C1CCCCC1- InChIKey
ZVUGPTVXOIMBJH-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- 3-Cyclohexyl-4-penten-2-one
- IUPAC
- 3-cyclohexylpent-4-en-2-one
- English name
- 3-cyclohexylpent-4-en-2-one
- Molecular formula
- C11H18O
- Molecular weight
- 166.26
Names & synonyms
3-CYCLOHEXYL-4-PENTEN-2-ONE55702-54-03-cyclohexylpent-4-en-2-one4-Penten-2-one, 3-cyclohexyl-DTXSID109710753-Cyclohexyl-4-penten-2-one #ZVUGPTVXOIMBJH-UHFFFAOYSA-N
Database identifiers
- CAS
55702-54-0- PubChem CID
- 41542
- DTXSID
DTXSID10971075- Nikkaji
- J113.139G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 239.7 · 239.7±9.0 °C(Predicted)
- Density
- 0.904 · 0.904±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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