Basic information
- Standard SMILES
CCOC(=O)C(C)c1ccc(CC2(C(=O)OCC)CCCCC2=O)cc1- InChIKey
QOYVJQVQQSEKTC-UHFFFAOYSA-N- Molecular formula
- C21H28O5
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.19367399
Names & identifiers
- Preferred name
- Ethyl 2-[4-(1-ethoxycarbonyl-2-oxocyclohexan-1-ylmethyl)phenyl]propionate
- IUPAC
- ethyl 1-[[4-(1-ethoxy-1-oxopropan-2-yl)phenyl]methyl]-2-oxocyclohexane-1-carboxylate
Names & synonyms
SCHEMBL11544236QOYVJQVQQSEKTC-UHFFFAOYSA-Nethyl 2-[4-(1-ethoxycarbonyl-2-oxocyclohexan-1-ylmethyl)phenyl]propionate
Database identifiers
- PubChem CID
- 54239461
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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