Completing data — usually done within a minute
Basic information
- CAS
2351-89-5- Standard SMILES
CCOC(=O)C=CCC(C)C- InChIKey
XBRGZVMBYLXWTE-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 2-Hexenoic acid, 5-methyl-, ethyl ester
- IUPAC
- ethyl 5-methylhex-2-enoate
Names & synonyms
2-Hexenoic acid, 5-methyl-, ethyl esterSCHEMBL1126891XBRGZVMBYLXWTE-UHFFFAOYSA-NDTXSID601278630AKOS030241313NS00049510
Database identifiers
- CAS
2351-89-5- PubChem CID
- 102244
- DTXSID
DTXSID601278630
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Related reactions
6 records
Compound notes
Loading…