Basic information
- Standard SMILES
CCOC(=O)C(CCC=C(C)C)C(C)O- InChIKey
RQAIVCVGFVDBBA-UHFFFAOYSA-N- Molecular formula
- C12H22O3
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.15689456
Names & identifiers
- Preferred name
- Ethyl 2-(4-Methyl-3-Pentenyl)-3-Hydroxybutyrate
- IUPAC
- ethyl 2-(1-hydroxyethyl)-6-methylhept-5-enoate
Names & synonyms
SCHEMBL8750502RQAIVCVGFVDBBA-UHFFFAOYSA-NEthyl 2-(4-Methyl-3-Pentenyl)-3-Hydroxybutyrate
Database identifiers
- PubChem CID
- 19829010
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
2 records
Compound notes
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