chempirical

2-Methylpentanoyl chloride

C6H11ClOCAS 5238-27-7134.60 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
137–139 °C
logP
2.19Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
5238-27-7
SMILES
CCCC(C)C(=O)Cl
InChIKey
MFIQXAVMTLKUJR-UHFFFAOYSA-N
InChI
InChI=1S/C6H11ClO/c1-3-4-5(2)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

6 names
  • Pentanoyl chloride, 2-methyl-
  • Valeryl chloride, 2-methyl-
  • 2-Methylvaleryl chloride
  • α-Methylpentanoyl chloride
  • α-Methylvaleryl chloride
  • 2-Methyl pentanoic acid chloride

Work with 2-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

2-Propylpentanoyl chloride2936-08-562 % similar 2-Methylvaleric acid97-61-052 % similar Methyl 2-methylpentanoate2177-77-748 % similar Manzanate39255-32-847 % similar 2-Ethylhexanoyl chloride760-67-847 % similar Cyclopropanecarbonyl chloride4023-34-142 % similar Isobutyryl chloride79-30-142 % similar 2-Methylhexanoic acid4536-23-639 % 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 4-Methylpentanoyl chloride38136-29-7 2,2-Dimethylbutanoyl chloride5856-77-9 3,3-Dimethylbutanoyl chloride7065-46-5

Elsewhere

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