2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene

C20H20S2 — CID 46850582

IUPAC2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESCC(C)(C)c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C20H20S2/c1-20(2,3)16-9-6-15(7-10-16)8-11-17-12-13-19(22-17)18-5-4-14-21-18/h4-14H,1-3H3/b11-8+
InChIKeyYTGTVRQZKRMBBP-DHZHZOJOSA-N
MW324.51 g/mol
LogP6.94
Rot. Bonds3

About 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene

2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene (PubChem CID 46850582) has the molecular formula C20H20S2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene
PubChem CID46850582
Molecular FormulaC20H20S2
Molecular Weight324.51 g/mol
Exact Mass324.10
IUPAC Name2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESCC(C)(C)c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C20H20S2/c1-20(2,3)16-9-6-15(7-10-16)8-11-17-12-13-19(22-17)18-5-4-14-21-18/h4-14H,1-3H3/b11-8+
InChIKeyYTGTVRQZKRMBBP-DHZHZOJOSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene?
The IUPAC name of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene (CID 46850582) is 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene is CC(C)(C)c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene?
The InChIKey is YTGTVRQZKRMBBP-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H20S2/c1-20(2,3)16-9-6-15(7-10-16)8-11-17-12-13-19(22-17)18-5-4-14-21-18/h4-14H,1-3H3/b11-8+.
What are the key properties of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene?
2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene has a molecular weight of 324.51 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 46850582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).