Basic information
- Standard SMILES
CCOC(=O)/C=C\CC(C)C- InChIKey
XBRGZVMBYLXWTE-ALCCZGGFSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- (Z)-5-methyl-hex-2-enoic acid ethyl ester
- IUPAC
- ethyl (Z)-5-methylhex-2-enoate
Names & synonyms
SCHEMBL6673309XBRGZVMBYLXWTE-ALCCZGGFSA-N(Z)-5-methyl-hex-2-enoic acid ethyl ester
Database identifiers
- PubChem CID
- 10241046
- Nikkaji
- J1.546.952H
Properties
Computed structural properties
- 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
2 records
Compound notes
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