2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene

C19H26S2 — CID 74046561

IUPAC2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene
SMILESCCc1csc(C=Cc2sc(C)c(CC)c2CC)c1CC
InChIInChI=1S/C19H26S2/c1-6-14-12-20-18(16(14)8-3)10-11-19-17(9-4)15(7-2)13(5)21-19/h10-12H,6-9H2,1-5H3
InChIKeyNKGCOPZDBSBYED-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.54
Rot. Bonds6

About 2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene

2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene (PubChem CID 74046561) has the molecular formula C19H26S2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene.

Molecular Properties

Compound Name2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene
PubChem CID74046561
Molecular FormulaC19H26S2
Molecular Weight318.55 g/mol
Exact Mass318.15
IUPAC Name2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene
SMILESCCc1csc(C=Cc2sc(C)c(CC)c2CC)c1CC
InChIInChI=1S/C19H26S2/c1-6-14-12-20-18(16(14)8-3)10-11-19-17(9-4)15(7-2)13(5)21-19/h10-12H,6-9H2,1-5H3
InChIKeyNKGCOPZDBSBYED-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene?
The IUPAC name of 2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene (CID 74046561) is 2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene.
What is the SMILES notation for 2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene?
The canonical SMILES for 2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene is CCc1csc(C=Cc2sc(C)c(CC)c2CC)c1CC.
What is the InChIKey of 2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene?
The InChIKey is NKGCOPZDBSBYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26S2/c1-6-14-12-20-18(16(14)8-3)10-11-19-17(9-4)15(7-2)13(5)21-19/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene?
2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene has a molecular weight of 318.55 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene is sourced from PubChem (CID 74046561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).