chempirical

Hexadiene

C6H10CAS 42296-74-282.15 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
2

Identifiers

CAS number
42296-74-2
SMILES
CCC=CC=C
InChIKey
AHAREKHAZNPPMI-UHFFFAOYSA-N
InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3

Weigh it out

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

Work with Hexadiene

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

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.

1,3-Hexadiene592-48-3

Similar compounds

3-Hexene592-47-247 % similar (E)-2-Pentenal1576-87-045 % similar (2E,4E)-2,4-Heptadien-1-ol33467-79-743 % similar (E,E)-2,4-Heptadienal4313-03-542 % similar 2,4-Heptadienal5910-85-042 % similar 1,3,5-Hexatriene2235-12-341 % similar 1-Butene106-98-940 % similar 2-Pentene109-68-240 % 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 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

PubChem CAS Common Chemistry NIST WebBook