2,5-Dimethylhexane

C₈H₁₈CAS 592-13-2114.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈
Molar mass: 114.23 g/mol
Exact mass: 114.1409 Da
Density: 0.6989 g/mL (at 15 °C)
Melting point: −91 °C
Boiling point: 109.1 °C
logP: 3.08Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

592-13-2

SMILES

CC(C)CCC(C)C

InChIKey

UWNADWZGEHDQAB-UHFFFAOYSA-N

InChI

InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

4 names

Hexane, 2,5-dimethyl-
Biisobutyl
NSC 74172
1,1,4,4-Tetramethylbutane

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

Similar compounds

2,7-Dimethyloctane1072-16-867 % similar 2-Methylpentane107-83-557 % similar 1,4-Dimethylpentylamine28292-43-556 % similar 5-Methyl-2-hexanol627-59-856 % similar 1-Bromo-3-methylbutane107-82-453 % similar 1-Chloro-3-methylbutane107-84-653 % similar Isoamylamine107-85-753 % similar Isoamyl alcohol123-51-353 % 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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