4-Methylheptane

C₈H₁₈CAS 589-53-7114.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈
Molar mass: 114.23 g/mol
Exact mass: 114.1409 Da
Density: 0.7217 g/mL (at 15 °C)
Melting point: −121 °C
Boiling point: 117.7 °C
logP: 3.22Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

589-53-7

SMILES

CCCC(C)CCC

InChIKey

CHBAWFGIXDBEBT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Heptane, 4-methyl-
NSC 73953

Work with 4-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-Methylhexane589-34-471 % similar 2-Methyl-1-pentanol105-30-663 % similar (±)-2,4-Dimethylheptane2213-23-263 % similar 1,4-Dimethylcyclohexane589-90-257 % similar cis-1,4-Dimethylcyclohexane624-29-357 % similar 2-Methylpentane107-83-553 % similar Methylcyclopentane96-37-750 % similar Methylcyclohexane108-87-247 % 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 3-Methylheptane589-81-1

Elsewhere

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