Piperylene
Properties
- Molecular formula
- C5H8
- Molar mass
- 68.12 g/mol
- Exact mass
- 68.0626 Da
- Density
- 0.676 g/mL (at 20 °C)
- Melting point
- 41–43 °C
- Boiling point
- 42 °C
- logP
- 1.75Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor94.9% of notifiers
- H304 May be fatal if swallowed and enters airways70.7% of notifiers
Aggregated from 256 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
504-60-9SMILES
C=CC=CCInChIKey
PMJHHCWVYXUKFD-UHFFFAOYSA-NInChI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 1,3-Pentadiene
- 1-Methylbutadiene
- 1-Methyl-1,3-butadiene
Work with Piperylene
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,3,5-Hexatriene2235-12-354 % similar
Trans,trans-2,4-Hexadiene5194-51-446 % similar
2,4-Hexadiene592-46-146 % similar
Propylene115-07-140 % similar
1-Methoxy-1,3-butadiene3036-66-640 % similar
Hexadiene42296-74-240 % similar
1,3-Hexadiene592-48-340 % similar
Propylene tetramer6842-15-540 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds