3-Methyl-1,3-pentadiene

C6H10CAS 4549-74-082.15 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C6H10
Molar mass
82.15 g/mol
Exact mass
82.0783 Da
logP
2.14Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1
Double bonds
EE/Z, in SMILES order

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 40 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, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
4549-74-0
SMILES
C/C=C(\C)/C=C
InChIKey
BOGRNZQRTNVZCZ-AATRIKPKSA-N
InChI
InChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3/b6-5+

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Names and synonyms

1 names
  • (3E)-3-Methylpenta-1,3-diene

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

trans-2-Methyl-2-butenal497-03-045 % similar β-Ocimene13877-91-344 % similar Allo-Ocimene673-84-738 % similar Isoprene78-79-536 % similar Polyisoprene9003-31-036 % similar 2-Methyl-2-butene513-35-935 % similar Methyl vinyl ketone78-94-435 % similar N,N-Dimethylacrylamide2680-03-731 % 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 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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