[(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene

C22H24 — CID 10827237

IUPAC[(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene
SMILESC=C(C)C(=C\c1ccccc1)/C(=C/c1ccccc1)C(C)C
InChIInChI=1S/C22H24/c1-17(2)21(15-19-11-7-5-8-12-19)22(18(3)4)16-20-13-9-6-10-14-20/h5-16,18H,1H2,2-4H3/b21-15+,22-16+
InChIKeyLHEVJMQUWVGUCZ-YHARCJFQSA-N
MW288.43 g/mol
LogP6.39
Rot. Bonds5

About [(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene

[(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene (PubChem CID 10827237) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is [(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene
PubChem CID10827237
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name[(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene
SMILESC=C(C)C(=C\c1ccccc1)/C(=C/c1ccccc1)C(C)C
InChIInChI=1S/C22H24/c1-17(2)21(15-19-11-7-5-8-12-19)22(18(3)4)16-20-13-9-6-10-14-20/h5-16,18H,1H2,2-4H3/b21-15+,22-16+
InChIKeyLHEVJMQUWVGUCZ-YHARCJFQSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.39
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

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CID 20836396
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CID 173417992
[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene
CID 177384846
(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
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CID 143816437
(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol
CID 102579772
[(E)-2-prop-2-enoxyprop-1-enyl]benzene
CID 67861596
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CID 102207031
1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene
CID 54101312
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Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene?
The IUPAC name of [(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene (CID 10827237) is [(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene.
What is the SMILES notation for [(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene?
The canonical SMILES for [(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene is C=C(C)C(=C\c1ccccc1)/C(=C/c1ccccc1)C(C)C.
What is the InChIKey of [(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene?
The InChIKey is LHEVJMQUWVGUCZ-YHARCJFQSA-N. The full InChI is InChI=1S/C22H24/c1-17(2)21(15-19-11-7-5-8-12-19)22(18(3)4)16-20-13-9-6-10-14-20/h5-16,18H,1H2,2-4H3/b21-15+,22-16+.
What are the key properties of [(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene?
[(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene has a molecular weight of 288.43 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-3-benzylidene-4-methyl-2-propan-2-ylpenta-1,4-dienyl]benzene is sourced from PubChem (CID 10827237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).