4-Methyl-1-hexene

C₇H₁₄CAS 3769-23-198.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₄
Molar mass: 98.19 g/mol
Exact mass: 98.1096 Da
Density: 0.6969 g/mL (at 20 °C)
Melting point: −141.5 °C
Boiling point: 86.7 °C
logP: 2.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

3769-23-1

SMILES

C=CCC(C)CC

InChIKey

SUWJESCICIOQHO-UHFFFAOYSA-N

InChI

InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3

Weigh it out

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

Names and synonyms

4 names

1-Hexene, 4-methyl-
(±)-4-Methyl-1-hexene
(R,S)-4-Methyl-1-hexene
NSC 73926

Work with 4-Methyl-1-hexene

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-Methylpentane96-14-050 % similar 4-Methyl-1-pentene691-37-248 % similar 3,5-Dimethylheptane926-82-945 % similar 4-Penten-2-ol625-31-042 % similar 1-Bromo-2-methylbutane10422-35-240 % similar 2-Methyl-1-butanol137-32-640 % similar (S)-2-Methyl-1-butanol1565-80-640 % similar 2-Methyl-1-butanethiol1878-18-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methylcyclohexane-D1410120-28-2 Methylcyclohexane108-87-2 trans-3-Heptene14686-14-7 Ethylcyclopentane1640-89-7 2,4-Dimethyl-1-pentene2213-32-3 1,2-Dimethylcyclopentane2452-99-5 Cycloheptane291-64-5 2,3-Dimethyl-1-pentene3404-72-6

Elsewhere

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