1-Chloro-3,3-dimethylbutane

C₆H₁₃ClCAS 2855-08-5120.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₃Cl
Molar mass: 120.62 g/mol
Exact mass: 120.0706 Da
Density: 0.867 g/mL (at 20 °C)
Boiling point: 115 °C
logP: 2.66Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

2855-08-5

SMILES

CC(C)(C)CCCl

InChIKey

XGCKOSFYXBAPQM-UHFFFAOYSA-N

InChI

InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3

Weigh it out

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

Names and synonyms

5 names

Butane, 1-chloro-3,3-dimethyl-
Neohexyl chloride
3,3-Dimethylbutyl chloride
4-Chloro-2,2-dimethylbutane
NSC 76580

Work with 1-Chloro-3,3-dimethylbutane

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-2,2-dimethylpropane753-89-944 % similar 1,1,1,3-Tetrachloropropane1070-78-642 % similar 2,2-Dimethylpentane590-35-242 % similar Chlorotrifluoropropane460-35-540 % similar 3,3-Dimethyl-1-butanol624-95-340 % similar 2,2-Dimethylhexane590-73-838 % similar 2,2,5-Trimethylhexane3522-94-936 % similar 2,2,4,4-Tetramethylpentane1070-87-735 % similar

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

Same formula

1-Chlorohexane544-10-5

Elsewhere

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