Basic information
- CAS
25409-08-9- Standard SMILES
C/C=C(\C=O)CCCC- InChIKey
RAPHJZMCZKGDSB-YWEYNIOJSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Overview
See also: 2-Ethylidenehexanal (annotation moved to).
Names & identifiers
- Preferred name
- 2-Butyl-2-butenal, (2Z)-
- IUPAC
- (2Z)-2-ethylidenehexanal
Names & synonyms
2-Ethylidinehexanal2-Butylbut-2-enal2-Butyl-2-butenal, (2Z)-P753D0PG2O2-ETHYLIDENEHEXANAL, (2Z)-HEXANAL, 2-ETHYLIDENE-, (2Z)-RefChem:468100Hexanal, 2-ethylidene-(2Z)-2-butyl-2-butenalSCHEMBL3504527Q27286312
Database identifiers
- CAS
25409-08-9- PubChem CID
- 6540477
- UNII
- P753D0PG2O
- Nikkaji
- J250.452I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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