Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester

HCID 240484

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Basic information

CAS: 17033-58-8
Standard SMILES: CCOC(=O)C1(CCC(=O)OCc2ccccc2)CCCCC1=O
InChIKey: LLERMKDPUNUTSP-UHFFFAOYSA-N
Molecular formula: C19H24O5
Average molar mass: 332.4 g/mol
Monoisotopic mass: 332.16237386

Names & identifiers

Preferred name: Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester
IUPAC: ethyl 2-oxo-1-(3-oxo-3-phenylmethoxypropyl)cyclohexane-1-carboxylate

Names & synonyms

MLS00266708917033-58-8NSC46689CHEMBL1886771DTXSID50286630HMS3087D23NSC-46689Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl esterSMR001556861DS-010674ETHYL 1-[3-(BENZYLOXY)-3-OXOPROPYL]-2-OXOCYCLOHEXANE-1-CARBOXYLATE

Database identifiers

CAS: 17033-58-8
PubChem CID: 240484
DTXSID: DTXSID50286630
ChEMBL: CHEMBL1886771

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 24
Formal charge: 0
Complexity: 453

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