5-Cyano-2-oxo-5-phenyl-cyclohexane carboxylic acid ethyl ester

HCID 69014750
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Basic information

Standard SMILES
CCOC(=O)C1CC(C#N)(c2ccccc2)CCC1=O
InChIKey
YIXOEJFYPGHUEZ-UHFFFAOYSA-N
Molecular formula
C16H17NO3
Average molar mass
271.31 g/mol

Names & identifiers

Preferred name
5-Cyano-2-oxo-5-phenyl-cyclohexane carboxylic acid ethyl ester
IUPAC
ethyl 5-cyano-2-oxo-5-phenylcyclohexane-1-carboxylate

Names & synonyms

SCHEMBL4356963YIXOEJFYPGHUEZ-UHFFFAOYSA-N5-cyano-2-oxo-5-phenyl-cyclohexane carboxylic acid ethyl ester

Database identifiers

PubChem CID
69014750

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
67.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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5-Cyano-2-oxo-5-phenyl-cyclohexane carboxylic acid ethyl ester (HCID 69014750)｜Huagongshe