(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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 Trans,trans-1,4-diphenyl-1,3-butadiene538-81-865 % similar 1,4-Diphenyl-1,3-butadiene886-65-765 % similar (E)-Stilbene103-30-055 % similar (Z)-Stilbene645-49-855 % similar Styrene-butadiene9003-55-854 % similar Cinnamaldehyde104-55-252 % similar Cinnamaldehyde14371-10-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Phenyl-1-butyne16520-62-0 2-Methylindene2177-47-1 1-Ethyl-4-ethynylbenzene40307-11-7 Dialin447-53-0 1,4-Dihydronaphthalene612-17-9 1-Phenyl-1-butyne622-76-4 4-Vinylbenzocyclobutene99717-87-0

Elsewhere

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