2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene

C20H36S — CID 580622

IUPAC2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene
SMILESCc1cc(CC(C)CCCC(C)CCCC(C)C)sc1C
InChIInChI=1S/C20H36S/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-20-14-18(5)19(6)21-20/h14-17H,7-13H2,1-6H3
InChIKeySGLLIZPLDIOTLY-UHFFFAOYSA-N
MW308.58 g/mol
LogP7.18
Rot. Bonds10

About 2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene

2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene (PubChem CID 580622) has the molecular formula C20H36S and a molecular weight of 308.58 g/mol. Its IUPAC name is 2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene.

Molecular Properties

Compound Name2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene
PubChem CID580622
Molecular FormulaC20H36S
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene
SMILESCc1cc(CC(C)CCCC(C)CCCC(C)C)sc1C
InChIInChI=1S/C20H36S/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-20-14-18(5)19(6)21-20/h14-17H,7-13H2,1-6H3
InChIKeySGLLIZPLDIOTLY-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene?
The IUPAC name of 2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene (CID 580622) is 2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene.
What is the SMILES notation for 2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene?
The canonical SMILES for 2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene is Cc1cc(CC(C)CCCC(C)CCCC(C)C)sc1C.
What is the InChIKey of 2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene?
The InChIKey is SGLLIZPLDIOTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36S/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-20-14-18(5)19(6)21-20/h14-17H,7-13H2,1-6H3.
What are the key properties of 2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene?
2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene has a molecular weight of 308.58 g/mol, XLogP of 7.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(2,6,10-trimethylundecyl)thiophene is sourced from PubChem (CID 580622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).