Basic information
- Standard SMILES
C=CCCCCC1CCC(CC)(CC(=O)OC)C(=O)C1- InChIKey
YRENMYFZPPKGFG-UHFFFAOYSA-N- Molecular formula
- C17H28O3
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.20384475
Names & identifiers
- Preferred name
- 1-Ethyl-4-(5-hexenyl)-2-oxocyclohexaneacetic Acid Methyl Ester
- IUPAC
- methyl 2-(1-ethyl-4-hex-5-enyl-2-oxocyclohexyl)acetate
Names & synonyms
SCHEMBL9758996YRENMYFZPPKGFG-UHFFFAOYSA-N1-Ethyl-4-(5-hexenyl)-2-oxocyclohexaneacetic Acid Methyl Ester
Database identifiers
- PubChem CID
- 14649908
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
8 records
Compound notes
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