chempirical

2-Methylheptane

C8H18CAS 592-27-8114.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C8H18
Molar mass
114.23 g/mol
Exact mass
114.1409 Da
Density
0.7 g/mL
Melting point
−109 °C
Boiling point
116 °C
logP
3.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
592-27-8
SMILES
CCCCCC(C)C
InChIKey
JVSWJIKNEAIKJW-UHFFFAOYSA-N
InChI
InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3

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

Names and synonyms

2 names
  • Heptane, 2-methyl-
  • NSC 24844

Work with 2-Methylheptane

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-Methyloctane3221-61-294 % similar 2-Methyldecane6975-98-094 % similar 2-Methylundecane7045-71-894 % similar 2-Methylnonane871-83-094 % similar 2-Methylhexane591-76-482 % similar 2,7-Dimethyloctane1072-16-869 % similar 2-Methylpentane107-83-561 % similar Pentylcyclohexane4292-92-655 % 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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