2,2,4-Trimethylhexane

C₉H₂₀CAS 16747-26-5128.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀
Molar mass: 128.26 g/mol
Exact mass: 128.1565 Da
Density: 0.711 g/mL (at 4 °C)
Melting point: −120 °C
Boiling point: 126.5 °C
logP: 3.47Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

16747-26-5

SMILES

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

InChIKey

AFTPEBDOGXRMNQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3

Weigh it out

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

Names and synonyms

2 names

Hexane, 2,2,4-trimethyl-
(±)-2,2,4-Trimethylhexane

Work with 2,2,4-Trimethylhexane

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

2,2,4,6,6-Pentamethylheptane13475-82-672 % similar 3-Methylpentane96-14-056 % similar 3,5,5-Trimethyl-1-hexanol3452-97-952 % similar Isocetane4390-04-952 % similar 3,5,5-Trimethylhexanal5435-64-350 % similar 3,5-Dimethylheptane926-82-950 % similar Triethoxy(2,4,4-trimethylpentyl)silane35435-21-348 % similar 2,2,4-Trimethylpentane540-84-148 % similar

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

Same formula

4,4-Dimethyl heptane1068-19-5 2,2,4,4-Tetramethylpentane1070-87-7 Nonane111-84-2 (±)-2,4-Dimethylheptane2213-23-2 3-Methyloctane2216-33-3 2-Methyloctane3221-61-2 2,2,5-Trimethylhexane3522-94-9 3,3-Dimethylheptane4032-86-4

Elsewhere

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