2,2-Dimethylhexane

C₈H₁₈CAS 590-73-8114.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈
Molar mass: 114.23 g/mol
Exact mass: 114.1409 Da
Density: 0.6967 g/mL (at 20 °C)
Melting point: −121.1 °C
Boiling point: 106.8 °C
logP: 3.22Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

590-73-8

SMILES

CCCCC(C)(C)C

InChIKey

FLTJDUOFAQWHDF-UHFFFAOYSA-N

InChI

InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3

Weigh it out

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

Names and synonyms

2 names

Hexane, 2,2-dimethyl-
NSC 174065

Work with 2,2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2-Dimethylpentane590-35-265 % similar 2-Methyl-2-hexanol625-23-052 % similar 5-Methyl-5-nonanol33933-78-750 % similar 3,3-Dimethylheptane4032-86-450 % similar Pentane109-66-044 % similar Hexane110-54-344 % similar Trimethyl orthovalerate13820-09-243 % similar 1,1,1-Triethoxypentane919-29-942 % similar

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

Same formula

Octane111-65-9 2,2,4-Trimethylpentane540-84-1 2,2,3-Trimethylpentane564-02-3 2,3,4-Trimethylpentane565-75-3 3,4-Dimethylhexane583-48-2 2,3-Dimethylhexane584-94-1 (±)-2,4-Dimethylhexane589-43-5 4-Methylheptane589-53-7

Elsewhere

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