1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene

C30H30 — CID 19780599

IUPAC1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene
SMILESC=CCCc1ccc(/C=C/c2ccc(/C=C/c3ccc(CCC=C)cc3)cc2)cc1
InChIInChI=1S/C30H30/c1-3-5-7-25-9-13-27(14-10-25)17-19-29-21-23-30(24-22-29)20-18-28-15-11-26(12-16-28)8-6-4-2/h3-4,9-24H,1-2,5-8H2/b19-17+,20-18+
InChIKeySVYDTENOXNOCMH-XPWSMXQVSA-N
MW390.57 g/mol
LogP8.26
Rot. Bonds10

About 1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene

1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene (PubChem CID 19780599) has the molecular formula C30H30 and a molecular weight of 390.57 g/mol. Its IUPAC name is 1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene
PubChem CID19780599
Molecular FormulaC30H30
Molecular Weight390.57 g/mol
Exact Mass390.23
IUPAC Name1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene
SMILESC=CCCc1ccc(/C=C/c2ccc(/C=C/c3ccc(CCC=C)cc3)cc2)cc1
InChIInChI=1S/C30H30/c1-3-5-7-25-9-13-27(14-10-25)17-19-29-21-23-30(24-22-29)20-18-28-15-11-26(12-16-28)8-6-4-2/h3-4,9-24H,1-2,5-8H2/b19-17+,20-18+
InChIKeySVYDTENOXNOCMH-XPWSMXQVSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-3-enylbenzene;silver
CID 174999453
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CID 161099431
1-but-3-enyl-4-hexylbenzene
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1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 173376876
4-(4-but-3-enylphenyl)butan-2-one
CID 102388020
1-but-3-enyl-4-(cyclobuten-1-yl)benzene
CID 57022905
1-but-3-enyl-4-nitrobenzene
CID 18993436
4-[(3Z)-hexa-3,5-dienyl]benzaldehyde
CID 88908789
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CID 24721981

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene?
The IUPAC name of 1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene (CID 19780599) is 1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene?
The canonical SMILES for 1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene is C=CCCc1ccc(/C=C/c2ccc(/C=C/c3ccc(CCC=C)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene?
The InChIKey is SVYDTENOXNOCMH-XPWSMXQVSA-N. The full InChI is InChI=1S/C30H30/c1-3-5-7-25-9-13-27(14-10-25)17-19-29-21-23-30(24-22-29)20-18-28-15-11-26(12-16-28)8-6-4-2/h3-4,9-24H,1-2,5-8H2/b19-17+,20-18+.
What are the key properties of 1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene?
1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene has a molecular weight of 390.57 g/mol, XLogP of 8.26, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene is sourced from PubChem (CID 19780599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).