3-Chloro-5,5-dimethyl-2-cyclohexen-1-one

C₈H₁₁ClOCAS 17530-69-7158.62 g/mol

Open in Covalent MOL file

Alkene Ketone Vinyl halide

Properties

Molecular formula: C₈H₁₁ClO
Molar mass: 158.62 g/mol
Exact mass: 158.0498 Da
logP: 2.50Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

17530-69-7

SMILES

CC1(CC(=CC(=O)C1)Cl)C

InChIKey

PJYTYJGMJDIKEJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3

Weigh it out

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

Work with 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one

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

Similar compounds

Isophorone78-59-157 % similar 3-Amino-5,5-dimethyl-2-cyclohexen-1-one873-95-055 % similar Dimedone126-81-837 % similar Ketoisophorone1125-21-936 % similar Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dione4160-82-135 % similar 3,3-Dimethylglutaric acid4839-46-735 % similar 4,4-Dimethyl-2-cyclopenten-1-one22748-16-933 % similar 3,3,5,5-Tetramethylcyclohexanone14376-79-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-4,4-dimethylcyclopent-1-enecarbaldehyde1346672-63-6

Elsewhere

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