1-Chloro-2,2-dimethylpropane

C₅H₁₁ClCAS 753-89-9106.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₁Cl
Molar mass: 106.59 g/mol
Exact mass: 106.0549 Da
Density: 0.8659 g/mL (at 20 °C)
Melting point: −20 °C
Boiling point: 84.3 °C
logP: 2.27Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

753-89-9

SMILES

CC(C)(C)CCl

InChIKey

JEKYMVBQWWZVHO-UHFFFAOYSA-N

InChI

InChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3

Weigh it out

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

Names and synonyms

4 names

Propane, 1-chloro-2,2-dimethyl-
Neopentyl chloride
2,2-Dimethylpropyl chloride
(Chloromethyl)trimethylmethane

Work with 1-Chloro-2,2-dimethylpropane

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

1-Chloro-3,3-dimethylbutane2855-08-544 % similar 1,2-Dichloro-2-methylpropane594-37-644 % similar 1-Chloro-2-methyl-2-propanol558-42-942 % similar 2,2,4,4-Tetramethylpentane1070-87-740 % similar 1,3-Dichloro-2,2-bis(chloromethyl)propane3228-99-740 % similar 3-Chloro-2,2-dimethylpropanol13401-56-438 % similar 1,2-Dichloro-2-fluoropropane420-97-338 % similar 2-(Chloromethyl)-2-methyloxirane598-09-438 % similar

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

Same formula

1-Chloro-3-methylbutane107-84-6 1-Chloropentane543-59-9 tert-Amyl chloride594-36-5 1-Chloro-2-methylbutane616-13-7

Elsewhere

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