4-Pentenal, 4-methyl-2-(phenylmethylene)-
Basic information
- CAS
54979-65-6- Standard SMILES
C=C(C)CC(C=O)=Cc1ccccc1- InChIKey
NLEIERSWYUVGJF-UHFFFAOYSA-N- Molecular formula
- C13H14O
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.10446507
Names & identifiers
- Preferred name
- 4-Pentenal, 4-methyl-2-(phenylmethylene)-
- IUPAC
- 2-benzylidene-4-methylpent-4-enal
Names & synonyms
4-Pentenal, 4-methyl-2-(phenylmethylene)-DTXSID103781862-benzylidene-4-methyl-pent-4-enal
Database identifiers
- CAS
54979-65-6- PubChem CID
- 2772136
- DTXSID
DTXSID10378186
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
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Compound notes
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