1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene

C24H28 — CID 143048502

IUPAC1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene
SMILESC=CCCc1ccccc1CC(=C)c1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C24H28/c1-5-6-9-23-10-7-8-11-24(23)18-20(4)22-16-14-21(15-17-22)13-12-19(2)3/h5,7-8,10-17,19H,1,4,6,9,18H2,2-3H3/b13-12+
InChIKeyCWWUPDIGGUWLLO-OUKQBFOZSA-N
MW316.49 g/mol
LogP6.73
Rot. Bonds8

About 1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene

1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene (PubChem CID 143048502) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene.

Molecular Properties

Compound Name1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene
PubChem CID143048502
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene
SMILESC=CCCc1ccccc1CC(=C)c1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C24H28/c1-5-6-9-23-10-7-8-11-24(23)18-20(4)22-16-14-21(15-17-22)13-12-19(2)3/h5,7-8,10-17,19H,1,4,6,9,18H2,2-3H3/b13-12+
InChIKeyCWWUPDIGGUWLLO-OUKQBFOZSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene
CID 143048479
1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 173376876
4-(3-methylbut-1-enyl)phenol
CID 57250794
1-ethyl-2-(2-phenylprop-2-enyl)benzene
CID 18968382
4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide
CID 72568586
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine
CID 143048599
N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811493
4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide
CID 59811427
1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene
CID 19780599
N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811412
(1E)-1-phenylhepta-1,6-dien-3-amine
CID 11542895

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene?
The IUPAC name of 1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene (CID 143048502) is 1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene.
What is the SMILES notation for 1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene?
The canonical SMILES for 1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene is C=CCCc1ccccc1CC(=C)c1ccc(/C=C/C(C)C)cc1.
What is the InChIKey of 1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene?
The InChIKey is CWWUPDIGGUWLLO-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H28/c1-5-6-9-23-10-7-8-11-24(23)18-20(4)22-16-14-21(15-17-22)13-12-19(2)3/h5,7-8,10-17,19H,1,4,6,9,18H2,2-3H3/b13-12+.
What are the key properties of 1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene?
1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene has a molecular weight of 316.49 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene is sourced from PubChem (CID 143048502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).