2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde

C₁₅H₁₇ClOCAS 1228837-05-5248.75 g/mol

Open in Covalent MOL file

Aldehyde Alkene Aryl halide

Properties

Molecular formula: C₁₅H₁₇ClO
Molar mass: 248.75 g/mol
Exact mass: 248.0968 Da
logP: 4.50Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

1228837-05-5

SMILES

CC1(C)CCC(C=O)=C(c2ccc(Cl)cc2)C1

InChIKey

OOUSVDAPSBFSBR-UHFFFAOYSA-N

InChI

InChI=1S/C15H17ClO/c1-15(2)8-7-12(10-17)14(9-15)11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1-Cyclohexene-1-carboxaldehyde, 2-(4-chlorophenyl)-4,4-dimethyl-
2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-ene-1-carboxaldehyde
2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-enecarboxaldehyde
4′-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro[1,1′-biphenyl]-2-carboxaldehyde

Work with 2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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