chempirical

(E)-1-Phenyl-1,3-butadiene

C10H10CAS 16939-57-4130.19 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C10H10
Molar mass
130.19 g/mol
Exact mass
130.0783 Da
logP
2.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
16939-57-4
SMILES
C=C/C=C/C1=CC=CC=C1
InChIKey
XZKRXPZXQLARHH-XVNBXDOJSA-N
InChI
InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h2-9H,1H2/b7-3+

Weigh it out

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

Names and synonyms

16 names · show all
  • [(1E)-Buta-1,3-dienyl]benzene
  • 1-Phenyl-1,3-butadiene
  • (E)-Buta-1,3-dien-1-ylbenzene
  • Buta-1,3-dien-1-ylbenzene
  • Benzene, 1,3-butadienyl-
  • 1,3-Butadienylbenzene
  • (1E)-1-Phenyl-1,3-butadiene
  • 1,3-Butadiene, 1-phenyl-
  • (Buta-1,3-dien-1-yl)benzene
  • Benzene, (1E)-1,3-butadienyl-
  • (1,3-Butadienyl)benzene
  • 4-Phenyl-1,3-butadiene
  • Phenylbutadien
  • Benzene, 1,3-butadienyl-, (E)-
  • trans-1-Phenyl-butadiene
  • 1,3-Butadien-1-ylbenzene

Work with (E)-1-Phenyl-1,3-butadiene

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

1,6-Diphenyl-1,3,5-hexatriene1720-32-765 % similar 1,4-Diphenyl-1,3-butadiene886-65-765 % similar (E)-Stilbene103-30-055 % similar Styrene-butadiene9003-55-854 % similar Cinnamaldehyde104-55-252 % similar Cinnamaldehyde14371-10-952 % similar Styrene100-42-548 % similar Polystyrene9003-53-648 % similar

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

Same formula

2-Methylindene2177-47-1 1-Ethyl-4-ethynylbenzene40307-11-7 Dialin447-53-0 1,4-Dihydronaphthalene612-17-9 1-Phenyl-1-butyne622-76-4

Elsewhere

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