4-Methyl-1,3-pentadiene

C₆H₁₀CAS 926-56-782.15 g/mol

Open in Covalent MOL file

Alkene

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
Flash point: -34.4 °C
logP: 2.14Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor78.8% of notifiers
H304 May be fatal if swallowed and enters airways76.9% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 2,7-Dimethyl-2,6-octadiene16736-42-830 % 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 Hexadiene42296-74-2 3-Methyl-1,3-pentadiene4549-74-0 Dimethylbutadiene513-81-5 Trans,trans-2,4-Hexadiene5194-51-4 1,5-Hexadiene592-42-7

Elsewhere

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