1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene

C26H34 — CID 173031332

IUPAC1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C=CC=Cc2ccc(C(C)(C)C)cc2)c(C(C)C)c1
InChIInChI=1S/C26H34/c1-19(2)23-15-14-22(25(18-23)20(3)4)11-9-8-10-21-12-16-24(17-13-21)26(5,6)7/h8-20H,1-7H3
InChIKeyOAHCWUMCBZJUMR-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.96
Rot. Bonds5

About 1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene

1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene (PubChem CID 173031332) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene
PubChem CID173031332
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C=CC=Cc2ccc(C(C)(C)C)cc2)c(C(C)C)c1
InChIInChI=1S/C26H34/c1-19(2)23-15-14-22(25(18-23)20(3)4)11-9-8-10-21-12-16-24(17-13-21)26(5,6)7/h8-20H,1-7H3
InChIKeyOAHCWUMCBZJUMR-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene?
The IUPAC name of 1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene (CID 173031332) is 1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene is CC(C)c1ccc(C=CC=Cc2ccc(C(C)(C)C)cc2)c(C(C)C)c1.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene?
The InChIKey is OAHCWUMCBZJUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-19(2)23-15-14-22(25(18-23)20(3)4)11-9-8-10-21-12-16-24(17-13-21)26(5,6)7/h8-20H,1-7H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene?
1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene has a molecular weight of 346.56 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene is sourced from PubChem (CID 173031332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).