1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene

C15H18 — CID 145141155

IUPAC1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene
SMILESC=C/C(=C\C)c1cccc(/C(C)=C/C)c1
InChIInChI=1S/C15H18/c1-5-12(4)14-9-8-10-15(11-14)13(6-2)7-3/h5-11H,2H2,1,3-4H3/b12-5+,13-7+
InChIKeyFGQXOELLKUEYPA-HBGINIEDSA-N
MW198.31 g/mol
LogP4.70
Rot. Bonds3

About 1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene

1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene (PubChem CID 145141155) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene
PubChem CID145141155
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene
SMILESC=C/C(=C\C)c1cccc(/C(C)=C/C)c1
InChIInChI=1S/C15H18/c1-5-12(4)14-9-8-10-15(11-14)13(6-2)7-3/h5-11H,2H2,1,3-4H3/b12-5+,13-7+
InChIKeyFGQXOELLKUEYPA-HBGINIEDSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene
CID 156839306
1-[(E)-but-2-en-2-yl]-3-chlorobenzene
CID 20717800
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]triphenylene
CID 142607186
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
(1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine
CID 145086695
[3-[(3E)-5-methylhexa-1,3,5-trien-3-yl]phenyl]-phenylmethanone
CID 167178533
(2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine
CID 146245607
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
1-(6,6-difluoro-3-propylhexan-2-yl)-3-[(3E)-penta-1,3-dien-3-yl]benzene
CID 144757016
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran
CID 144925010
3-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-(methylideneamino)methylidene]-N'-methylbenzenecarboximidamide
CID 144989732

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene (CID 145141155) is 1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene is C=C/C(=C\C)c1cccc(/C(C)=C/C)c1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene?
The InChIKey is FGQXOELLKUEYPA-HBGINIEDSA-N. The full InChI is InChI=1S/C15H18/c1-5-12(4)14-9-8-10-15(11-14)13(6-2)7-3/h5-11H,2H2,1,3-4H3/b12-5+,13-7+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene?
1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene is sourced from PubChem (CID 145141155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).