2-Butenoic acid, pentyl ester
Basic information
- CAS
25415-76-3- Standard SMILES
C/C=C/C(=O)OCCCCC- InChIKey
PWYYERNADDIMJR-QPJJXVBHSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 2-Butenoic acid, pentyl ester
- IUPAC
- pentyl (E)-but-2-enoate
Names & synonyms
2-Butenoic acid, pentyl esteramyl crotonate25415-76-3EINECS 246-956-4AI3-06016SCHEMBL182438SCHEMBL2402619CHEMBL3273385NSC 53944Q63398806
Database identifiers
- CAS
25415-76-3- PubChem CID
- 6045488
- ChEMBL
CHEMBL3273385- EC Number
- 246-956-4
- Nikkaji
- J107.431H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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