1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene

C24H30 — CID 102332015

IUPAC1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
SMILESC=C(C(=C)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30/c1-17(19-9-13-21(14-10-19)23(3,4)5)18(2)20-11-15-22(16-12-20)24(6,7)8/h9-16H,1-2H2,3-8H3
InChIKeyLHSJNCFOICZGJF-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.01
Rot. Bonds3

About 1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene

1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene (PubChem CID 102332015) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
PubChem CID102332015
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
SMILESC=C(C(=C)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30/c1-17(19-9-13-21(14-10-19)23(3,4)5)18(2)20-11-15-22(16-12-20)24(6,7)8/h9-16H,1-2H2,3-8H3
InChIKeyLHSJNCFOICZGJF-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.01
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 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
1-(1,1-difluoroethyl)-4-[(3Z)-3-ethylpenta-1,3-dien-2-yl]benzene
CID 142957884
3-(4-tert-butylphenyl)-2-methylbut-2-en-1-ol
CID 57275528
2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol
CID 178015326
[amino-(4-tert-butylphenyl)methylidene]azanium
CID 6346947
CID 157428380
CID 157428380
2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione
CID 15471929
1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene?
The IUPAC name of 1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene (CID 102332015) is 1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene?
The canonical SMILES for 1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene is C=C(C(=C)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene?
The InChIKey is LHSJNCFOICZGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-17(19-9-13-21(14-10-19)23(3,4)5)18(2)20-11-15-22(16-12-20)24(6,7)8/h9-16H,1-2H2,3-8H3.
What are the key properties of 1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene?
1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene has a molecular weight of 318.50 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 102332015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).