2-Methyloctane

C₉H₂₀CAS 3221-61-2128.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀
Molar mass: 128.26 g/mol
Exact mass: 128.1565 Da
Density: 0.7107 g/mL (at 20.1 °C)
Melting point: −80.3 °C
Boiling point: 143.2 °C
logP: 3.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Identifiers

CAS number

3221-61-2

SMILES

CCCCCCC(C)C

InChIKey

ZUBZATZOEPUUQF-UHFFFAOYSA-N

InChI

InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3

Weigh it out

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

Names and synonyms

2 names

Octane, 2-methyl-
NSC 23695

Work with 2-Methyloctane

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-Methyldecane6975-98-0100 % similar 2-Methylundecane7045-71-8100 % similar 2-Methylnonane871-83-0100 % similar 2-Methylheptane592-27-894 % similar 2-Methylhexane591-76-478 % similar 2,7-Dimethyloctane1072-16-865 % similar Pentylcyclohexane4292-92-660 % similar Heptylcyclohexane5617-41-460 % 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 (±)-2,4-Dimethylheptane2213-23-2 3-Methyloctane2216-33-3 2,2,5-Trimethylhexane3522-94-9 3,3-Dimethylheptane4032-86-4

Elsewhere

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