Basic information
- CAS
36383-97-8- Standard SMILES
CCCCCCC(=O)C=CC=Cc1ccccc1- InChIKey
RBJSSKXGUSMQPC-UHFFFAOYSA-N- Molecular formula
- C17H22O
- Average molar mass
- 242.36 g/mol
- Monoisotopic mass
- 242.16706532
Names & identifiers
- Preferred name
- 1-Phenylundeca-1,3-dien-5-one
- IUPAC
- 1-phenylundeca-1,3-dien-5-one
- English name
- 1-Phenyl-1,3-undecadien-5-one
- Molecular formula
- C17H22O
- Molecular weight
- 242.36
Names & synonyms
1-phenylundeca-1,3-dien-5-oneDTXSID3030167336383-97-81-Phenyl-1,3-undecadien-5-one
Database identifiers
- CAS
36383-97-8- PubChem CID
- 286709
- DTXSID
DTXSID30301673
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 386.965 · 386.965±21.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.957 · 0.957±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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