(±)-2,4-Dimethylheptane

C₉H₂₀CAS 2213-23-2128.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀
Molar mass: 128.26 g/mol
Exact mass: 128.1565 Da
Density: 0.7206 g/mL (at 15 °C)
Boiling point: 132.9 °C
logP: 3.47Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

2213-23-2

SMILES

CCCC(C)CC(C)C

InChIKey

AUKVIBNBLXQNIZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3

Weigh it out

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

Names and synonyms

2 names

Heptane, 2,4-dimethyl-
2,4-Dimethylheptane

Work with (±)-2,4-Dimethylheptane

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

4-Methylheptane589-53-763 % similar 2-Methylpentane107-83-555 % similar 3-Methylhexane589-34-455 % similar (±)-2,4-Dimethylhexane589-43-555 % similar 2-Methyl-1-pentanol105-30-650 % similar (±)-4-Methylnonane17301-94-950 % similar 2-Methylhexane591-76-443 % similar 2,6,8-Trimethyl-4-nonanol123-17-142 % 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 2,2,4-Trimethylhexane16747-26-5 3-Methyloctane2216-33-3 2-Methyloctane3221-61-2 2,2,5-Trimethylhexane3522-94-9 3,3-Dimethylheptane4032-86-4

Elsewhere

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