4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene

C34H42O2 — CID 102415018

IUPAC4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(C)(C)C)cc1/C=C/c1ccc(/C=C/c2cc(C(C)(C)C)ccc2OCC)cc1
InChIInChI=1S/C34H42O2/c1-9-35-31-21-19-29(33(3,4)5)23-27(31)17-15-25-11-13-26(14-12-25)16-18-28-24-30(34(6,7)8)20-22-32(28)36-10-2/h11-24H,9-10H2,1-8H3/b17-15+,18-16+
InChIKeyGPZZOXFTLVBQLF-YTEMWHBBSA-N
MW482.71 g/mol
LogP9.42
Rot. Bonds8

About 4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene

4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene (PubChem CID 102415018) has the molecular formula C34H42O2 and a molecular weight of 482.71 g/mol. Its IUPAC name is 4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene.

Molecular Properties

Compound Name4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene
PubChem CID102415018
Molecular FormulaC34H42O2
Molecular Weight482.71 g/mol
Exact Mass482.32
IUPAC Name4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(C)(C)C)cc1/C=C/c1ccc(/C=C/c2cc(C(C)(C)C)ccc2OCC)cc1
InChIInChI=1S/C34H42O2/c1-9-35-31-21-19-29(33(3,4)5)23-27(31)17-15-25-11-13-26(14-12-25)16-18-28-24-30(34(6,7)8)20-22-32(28)36-10-2/h11-24H,9-10H2,1-8H3/b17-15+,18-16+
InChIKeyGPZZOXFTLVBQLF-YTEMWHBBSA-N
XLogP9.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.71
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-hexoxyphenyl)ethenyl]phenyl]ethenyl]-1-hexoxybenzene
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5-bromo-1-[2-(5-tert-butyl-2-methylphenyl)ethenyl]-3-ethoxy-2-methylbenzene
CID 123483521
1,4-dioctoxy-2-[(E)-2-phenylethenyl]-5-[(E)-2-[4-[(E)-2-[4-[tris[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 102014093
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
CID 159504088
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
CID 82053491
1,2-diethoxy-3-(2-phenylethenyl)benzene
CID 67865300
4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
CID 83935474
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene?
The IUPAC name of 4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene (CID 102415018) is 4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene.
What is the SMILES notation for 4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene?
The canonical SMILES for 4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene is CCOc1ccc(C(C)(C)C)cc1/C=C/c1ccc(/C=C/c2cc(C(C)(C)C)ccc2OCC)cc1.
What is the InChIKey of 4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene?
The InChIKey is GPZZOXFTLVBQLF-YTEMWHBBSA-N. The full InChI is InChI=1S/C34H42O2/c1-9-35-31-21-19-29(33(3,4)5)23-27(31)17-15-25-11-13-26(14-12-25)16-18-28-24-30(34(6,7)8)20-22-32(28)36-10-2/h11-24H,9-10H2,1-8H3/b17-15+,18-16+.
What are the key properties of 4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene?
4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene has a molecular weight of 482.71 g/mol, XLogP of 9.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene is sourced from PubChem (CID 102415018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).