Basic information
- CAS
77731-56-7- Standard SMILES
CCCC(C=O)=CC(C)CC- InChIKey
GPTLSTSCOCBLOP-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
Names & identifiers
- Preferred name
- 2-Propyl-4-methylhexenal
- IUPAC
- 4-methyl-2-propylhex-2-enal
Names & synonyms
2-propyl-4-methylhexenalSCHEMBL381941GPTLSTSCOCBLOP-UHFFFAOYSA-NNS00058536
Database identifiers
- CAS
77731-56-7- PubChem CID
- 3018738
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 136
Related reactions
4 records
Compound notes
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