chempirical

4-Methylpentanoyl chloride

C6H11ClOCAS 38136-29-7134.60 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C6H11ClO
Molar mass
134.60 g/mol
Exact mass
134.0498 Da
Boiling point
141–142 °C
logP
2.19Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
38136-29-7
SMILES
CC(C)CCC(=O)Cl
InChIKey
SVWCVXFHTHCJJB-UHFFFAOYSA-N
InChI
InChI=1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Pentanoyl chloride, 4-methyl-
  • Isocaproyl chloride
  • 4-Methylvaleryl chloride
  • Isohexanoyl chloride
  • 4-Methylvaleroyl chloride
  • γ-Methylvaleryl chloride
  • 4-Methylvaleric acid chloride
  • γ-Methylvaleroyl chloride

Work with 4-Methylpentanoyl chloride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isovaleryl chloride108-12-358 % similar Adipoyl chloride111-50-255 % similar Glutaryl chloride2873-74-755 % similar Cyclopentanepropanoyl chloride104-97-254 % similar Succinyl chloride543-20-452 % similar Suberoyl chloride10027-07-352 % similar Sebacoyl chloride111-19-352 % similar Azelaoyl chloride123-98-852 % similar

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

Same formula

6-Chloro-2-hexanone10226-30-9 1-Chloropinacolone13547-70-1 Hexanoyl chloride142-61-0 2-Chlorocyclohexanol1561-86-0 2-Ethylbutyryl chloride2736-40-5 2-Methylpentanoyl chloride5238-27-7 2,2-Dimethylbutanoyl chloride5856-77-9 3,3-Dimethylbutanoyl chloride7065-46-5

Elsewhere

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