Basic information
- CAS
32064-69-0- Standard SMILES
CCCC=C(CCC)C(C)=O- InChIKey
AUXPFOMJVMFAIF-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- (3E)-3-Propyl-3-hepten-2-one
- IUPAC
- 3-propylhept-3-en-2-one
- English name
- (3E)-3-Propyl-3-hepten-2-one
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
(3E)-3-Propyl-3-hepten-2-one32064-69-03-propylhept-3-en-2-oneSCHEMBL5423161DTXSID203369743-Propyl-3-hepten-2-one3-Hepten-2-one, 3-propyl-
Database identifiers
- CAS
32064-69-0- PubChem CID
- 537652
- DTXSID
DTXSID20336974
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 221.437 · 221.437±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.838 · 0.838±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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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