Basic information
- Standard SMILES
CC=CCC(C)(C=O)c1ccccc1- InChIKey
RXBHCNJVNOKWOX-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 2-Methyl-2-phenylhex-4-enal
- IUPAC
- 2-methyl-2-phenylhex-4-enal
Names & synonyms
2-Methyl-2-phenyl-4-hexenalSCHEMBL10959995DTXSID101363214
Database identifiers
- PubChem CID
- 54290339
- DTXSID
DTXSID101363214
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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