3-Methyl-1,4-pentadiene

C₆H₁₀CAS 1115-08-882.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀
Molar mass: 82.15 g/mol
Exact mass: 82.0783 Da
Boiling point: 52 °C
logP: 1.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

1115-08-8

SMILES

C=CC(C)C=C

InChIKey

IKQUUYYDRTYXAP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1,4-Pentadiene, 3-methyl-

Work with 3-Methyl-1,4-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

3-Methyl-1-butene563-45-150 % similar 3-Chloro-1-butene563-52-042 % similar 3-Buten-2-ol598-32-342 % similar 3-Methyl-1-pentene760-20-338 % similar 3,3-Dimethoxy-1-propene6044-68-435 % similar 1,5-Hexadiene-3,4-diol1069-23-433 % similar 1,4-Pentadien-3-ol922-65-633 % similar 1-Penten-3-ol616-25-130 % similar

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

Same formula

Cyclohexene110-83-8 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 1,3-Hexadiene592-48-3

Elsewhere

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