Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-cyanophenyl)methyl ester, (1R-trans)-

HCID 93473

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Basic information

CAS: 82535-32-8
Standard SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)OCc2ccc(C#N)cc2)C1(C)C
InChIKey: MQRCYPSLRFLLOE-CVEARBPZSA-N
Molecular formula: C18H21NO2
Average molar mass: 283.4 g/mol
Monoisotopic mass: 283.15722891

Names & identifiers

Preferred name: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-cyanophenyl)methyl ester, (1R-trans)-
IUPAC: cis-(4-cyanophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Names & synonyms

82535-32-8Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-cyanophenyl)methyl ester, (1R-trans)-DTXSID60875054(4-CYANOPHENYL)METHYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE

Database identifiers

CAS: 82535-32-8
PubChem CID: 93473
Nikkaji: J246.603A

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 471

Experimental & physicochemical properties

LogP4.91

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Compound notes

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