3-Methyl-1,3-pentadiene

C₆H₁₀CAS 4549-74-082.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀
Molar mass: 82.15 g/mol
Exact mass: 82.0783 Da
logP: 2.14Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1
Double bonds: EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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+

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook