2-Chloro-4,4-dimethylcyclopent-1-enecarbaldehyde

C₈H₁₁ClOCAS 1346672-63-6158.63 g/mol

Open in Covalent MOL file

Aldehyde Alkene Vinyl halide

Properties

Molecular formula: C₈H₁₁ClO
Molar mass: 158.63 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: 1

Identifiers

CAS number

1346672-63-6

SMILES

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

InChIKey

NEWIRJGYIPVUMB-UHFFFAOYSA-N

InChI

InChI=1S/C8H11ClO/c1-8(2)3-6(5-10)7(9)4-8/h5H,3-4H2,1-2H3

Weigh it out

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

Work with 2-Chloro-4,4-dimethylcyclopent-1-enecarbaldehyde

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

2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde1228837-05-536 % similar Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dione4160-82-131 % similar Isophorone78-59-131 % similar

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

Elsewhere

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