3-Methylheptane

C₈H₁₈CAS 589-81-1114.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈
Molar mass: 114.23 g/mol
Exact mass: 114.1409 Da
Density: 0.7167 g/mL (at 20 °C)
Melting point: −100 °C
Boiling point: 118 °C
logP: 3.22Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

589-81-1

SMILES

CCCCC(C)CC

InChIKey

LAIUFBWHERIJIH-UHFFFAOYSA-N

InChI

InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

4 names

Heptane, 3-methyl-
2-Ethylhexane
(±)-3-Methylheptane
NSC 24845

Work with 3-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

3-Methyloctane2216-33-385 % similar 3-Methylhexane589-34-470 % similar 2,6-Dimethyloctane2051-30-161 % similar (±)-4-Methylnonane17301-94-957 % similar Di(2-ethylhexyl)ether10143-60-954 % similar 3-Methylpentane96-14-053 % similar 3-Methyl-1-pentanol589-35-550 % similar 2-Methylhexane591-76-450 % 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia