4-Methyl-1,3-pentadiene

C₆H₁₀CAS 926-56-782.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀
Molar mass: 82.15 g/mol
Exact mass: 82.0783 Da
Density: 0.7181 g/mL (at 20 °C)
Boiling point: 76.5 °C
logP: 2.14Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

926-56-7

SMILES

C=CC=C(C)C

InChIKey

CJSBUWDGPXGFGA-UHFFFAOYSA-N

InChI

InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3

Weigh it out

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

Names and synonyms

4 names

1,3-Pentadiene, 4-methyl-
1,1-Dimethylbutadiene
1,1-Dimethyl-1,3-butadiene
2-Methyl-2,4-pentadiene

Work with 4-Methyl-1,3-pentadiene

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

2,5-Dimethyl-2,4-hexadiene764-13-653 % similar 3-Methyl-2-butenal107-86-840 % similar Butadiene106-99-033 % similar 6-Methylhepta-3,5-dien-2-one1604-28-032 % similar 2-Methyl-2-butene513-35-932 % similar β-Ocimene13877-91-331 % similar Allo-ocimene673-84-731 % similar trans-1,3-Pentadiene2004-70-830 % similar

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

Same formula

Cyclohexene110-83-8 3-Methyl-1,4-pentadiene1115-08-8 2-Methyl-1,3-pentadiene1118-58-7 Dimethylbutadiene513-81-5 Trans,trans-2,4-hexadiene5194-51-4 1,5-Hexadiene592-42-7 1,4-Hexadiene592-45-0 2,4-Hexadiene592-46-1

Elsewhere

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