2-(3,7,11,15-tetramethylhexadecoxy)thiophene

C24H44OS — CID 21441822

IUPAC2-(3,7,11,15-tetramethylhexadecoxy)thiophene
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1cccs1
InChIInChI=1S/C24H44OS/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)17-18-25-24-16-9-19-26-24/h9,16,19-23H,6-8,10-15,17-18H2,1-5H3
InChIKeyAQRBPANUFFRQOI-UHFFFAOYSA-N
MW380.68 g/mol
LogP8.59
Rot. Bonds16

About 2-(3,7,11,15-tetramethylhexadecoxy)thiophene

2-(3,7,11,15-tetramethylhexadecoxy)thiophene (PubChem CID 21441822) has the molecular formula C24H44OS and a molecular weight of 380.68 g/mol. Its IUPAC name is 2-(3,7,11,15-tetramethylhexadecoxy)thiophene.

Molecular Properties

Compound Name2-(3,7,11,15-tetramethylhexadecoxy)thiophene
PubChem CID21441822
Molecular FormulaC24H44OS
Molecular Weight380.68 g/mol
Exact Mass380.31
IUPAC Name2-(3,7,11,15-tetramethylhexadecoxy)thiophene
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1cccs1
InChIInChI=1S/C24H44OS/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)17-18-25-24-16-9-19-26-24/h9,16,19-23H,6-8,10-15,17-18H2,1-5H3
InChIKeyAQRBPANUFFRQOI-UHFFFAOYSA-N
XLogP8.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.68
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,7,11,15-tetramethylhexadecoxy)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,7,11,15-tetramethylhexadecoxy)thiophene?
The IUPAC name of 2-(3,7,11,15-tetramethylhexadecoxy)thiophene (CID 21441822) is 2-(3,7,11,15-tetramethylhexadecoxy)thiophene.
What is the SMILES notation for 2-(3,7,11,15-tetramethylhexadecoxy)thiophene?
The canonical SMILES for 2-(3,7,11,15-tetramethylhexadecoxy)thiophene is CC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1cccs1.
What is the InChIKey of 2-(3,7,11,15-tetramethylhexadecoxy)thiophene?
The InChIKey is AQRBPANUFFRQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44OS/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)17-18-25-24-16-9-19-26-24/h9,16,19-23H,6-8,10-15,17-18H2,1-5H3.
What are the key properties of 2-(3,7,11,15-tetramethylhexadecoxy)thiophene?
2-(3,7,11,15-tetramethylhexadecoxy)thiophene has a molecular weight of 380.68 g/mol, XLogP of 8.59, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7,11,15-tetramethylhexadecoxy)thiophene is sourced from PubChem (CID 21441822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).