Basic information
- CAS
88686-13-9- Standard SMILES
CC=CCOC(=O)CCC- InChIKey
RTMMLEZUIUUHHW-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- Butanoic acid, (2E)-2-butenyl ester
- IUPAC
- but-2-enyl butanoate
Names & synonyms
Butanoic acid, (2E)-2-butenyl esterDTXSID0033881088686-13-9RefChem:330658DTXCID00289893crotyl butyrateSCHEMBL2436353RTMMLEZUIUUHHW-UHFFFAOYSA-NBUT-2-EN-1-YL BUTANOATE20279-26-9
Database identifiers
- CAS
88686-13-9- PubChem CID
- 551276
- DTXSID
DTXSID00338810
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Related reactions
1 records
Compound notes
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