2,2-Dimethylbutanoyl chloride
Properties
- Molecular formula
- C6H11ClO
- Molar mass
- 134.60 g/mol
- Exact mass
- 134.0498 Da
- Density
- 0.9787 g/mL (at 20 °C)
- Boiling point
- 132 °C
- logP
- 2.19Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
5856-77-9SMILES
CCC(C)(C)C(=O)ClInChIKey
LDJUYMIFFNTKOI-UHFFFAOYSA-NInChI
InChI=1S/C6H11ClO/c1-4-6(2,3)5(7)8/h4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Butanoyl chloride, 2,2-dimethyl-
- Butyryl chloride, 2,2-dimethyl-
- 2,2-Dimethylbutyryl chloride
- 2,2-Dimethylbutyric acid chloride
- 2,2-Dimethylbutanoic acid chloride
Work with 2,2-Dimethylbutanoyl 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
3-Chloro-2,2-dimethylpropanoyl chloride4300-97-460 % similar
2,2-Dimethylbutanoic acid595-37-948 % similar
Pivaloyl chloride3282-30-246 % similar
Trichloroacetyl chloride76-02-836 % similar
Trifluoroacetyl chloride354-32-535 % similar
2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-035 % similar
2-(Acetyloxy)-2-methylpropanoyl chloride40635-66-334 % similar
1-Adamantanecarbonyl chloride2094-72-633 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds