chempirical

Isoprene

C5H8CAS 78-79-568.12 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C5H8
Molar mass
68.12 g/mol
Exact mass
68.0626 Da
Density
0.681 g/mL (at 20 °C)
Melting point
−145.95 °C
Boiling point
34.067 °C
logP
1.75Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
78-79-5
SMILES
C=CC(=C)C
InChIKey
RRHGJUQNOFWUDK-UHFFFAOYSA-N
InChI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Butadiene, 2-methyl-
  • 2-Methyl-1,3-butadiene
  • β-Methylbivinyl
  • 2-Methylbutadiene
  • Isopentadiene
  • 3-Methyl-1,3-butadiene
  • NSC 9237

Work with Isoprene

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

Polyisoprene9003-31-0100 % similar 2-Methyl-1,3-pentadiene1118-58-745 % similar Methacrolein78-85-345 % similar Methyl vinyl ketone78-94-438 % similar Chloroprene126-99-833 % similar Neoprene9010-98-433 % similar Myrcene123-35-332 % similar β-Ocimene13877-91-331 % similar

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

Same formula

Cyclopentene142-29-0 Housane185-94-4 trans-1,3-Pentadiene2004-70-8 Piperylene504-60-9 1,4-Pentadiene591-93-5 3-Methyl-1-butyne598-23-2 3-Methyl-1,2-butadiene598-25-4 1-Pentyne627-19-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia