3-Methyl-1,4-pentadiene

C6H10CAS 1115-08-882.15 g/mol

Open in Covalent MOL file
Alkene

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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, P501

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

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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 Acrolein dimethyl acetal6044-68-435 % similar 1,5-Hexadiene-3,4-diol1069-23-433 % similar 1,4-Pentadien-3-ol922-65-633 % similar 2-Methyl-3-butenoic acid53774-20-232 % 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 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 1,4-Hexadiene592-45-0

Elsewhere

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