Basic information
- CAS
10031-88-6- Standard SMILES
CCCCC=C(C=O)CC- InChIKey
RKQKOUYEJBHOFR-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 2-Ethylhept-2-enal
- IUPAC
- 2-ethylhept-2-enal
Names & synonyms
2-ETHYLHEPT-2-ENALDTXSID90864193RefChem:471929DTXCID30812739SCHEMBL670348DB-323953
Database identifiers
- CAS
10031-88-6- PubChem CID
- 61449
- DTXSID
DTXSID90864193
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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