2,5-Dichloro-2,5-dimethylhexane

C₈H₁₆Cl₂CAS 6223-78-5183.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆Cl₂
Molar mass: 183.12 g/mol
Exact mass: 182.0629 Da
Melting point: 67.5 °C
Boiling point: 72–82 °C (at 12 Torr)
logP: 3.80Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

6223-78-5

SMILES

CC(C)(Cl)CCC(C)(C)Cl

InChIKey

HSTAGCWQAIXJQM-UHFFFAOYSA-N

InChI

InChI=1S/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3

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

Names and synonyms

3 names

Hexane, 2,5-dichloro-2,5-dimethyl-
2,5-Dimethyl-2,5-dichlorohexane
NSC 408418

Work with 2,5-Dichloro-2,5-dimethylhexane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Amyl chloride594-36-553 % similar 1,2-Dichloro-2-methylpropane594-37-653 % similar 2,2-Dichloropropane594-20-731 % similar 1,1,1-Trichloroethane71-55-631 % similar 1-Chloro-3,3-dimethylbutane2855-08-530 % similar

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

Same formula

1,8-Dichlorooctane2162-99-4

Elsewhere

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