Basic information
- CAS
25415-76-3- Standard SMILES
CC=CC(=O)OCCCCC- InChIKey
PWYYERNADDIMJR-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Pentyl 2-butenoate
- IUPAC
- pentyl but-2-enoate
Names & synonyms
Pentyl 2-butenoate25415-76-3amyl crotonate2-Butenoic acid, pentylesterbut-2-enoic acid pentyl esterSCHEMBL1068258SCHEMBL7755367SCHEMBL15751385SCHEMBL26919755DTXSID401037208DS-013074NS00050299
Database identifiers
- CAS
25415-76-3- PubChem CID
- 97882
- DTXSID
DTXSID401037208- EC Number
- 246-956-4
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
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…