2-dodecoxy-5-thiophen-3-ylthiophene

C20H30OS2 — CID 155797466

IUPAC2-dodecoxy-5-thiophen-3-ylthiophene
SMILESCCCCCCCCCCCCOc1ccc(-c2ccsc2)s1
InChIInChI=1S/C20H30OS2/c1-2-3-4-5-6-7-8-9-10-11-15-21-20-13-12-19(23-20)18-14-16-22-17-18/h12-14,16-17H,2-11,15H2,1H3
InChIKeyYLTOGBMOIWPIGC-UHFFFAOYSA-N
MW350.59 g/mol
LogP7.78
Rot. Bonds13

About 2-dodecoxy-5-thiophen-3-ylthiophene

2-dodecoxy-5-thiophen-3-ylthiophene (PubChem CID 155797466) has the molecular formula C20H30OS2 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-dodecoxy-5-thiophen-3-ylthiophene.

Molecular Properties

Compound Name2-dodecoxy-5-thiophen-3-ylthiophene
PubChem CID155797466
Molecular FormulaC20H30OS2
Molecular Weight350.59 g/mol
Exact Mass350.17
IUPAC Name2-dodecoxy-5-thiophen-3-ylthiophene
SMILESCCCCCCCCCCCCOc1ccc(-c2ccsc2)s1
InChIInChI=1S/C20H30OS2/c1-2-3-4-5-6-7-8-9-10-11-15-21-20-13-12-19(23-20)18-14-16-22-17-18/h12-14,16-17H,2-11,15H2,1H3
InChIKeyYLTOGBMOIWPIGC-UHFFFAOYSA-N
XLogP7.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-dodecoxy-5-thiophen-3-ylthiophene with MolForge

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

Launch Full Analysis

Related Compounds

2-butoxy-5-[4-(4-dodecoxyphenyl)phenyl]thiophene
CID 10863935
2-bromo-5-dodecoxythiophene
CID 151403280
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319
2-octoxythiophene
CID 66725658
2-hexoxythiophene
CID 14473225
1,3-bis(5-tetradecoxythiophen-2-yl)propan-2-one
CID 54201238
3,4-dihexoxythiophene;ethene
CID 175595567
2,5-dipropoxythiophene
CID 18915039
3-[2-[2,5-dioctoxy-4-(2-thiophen-3-ylethynyl)phenyl]ethynyl]thiophene
CID 102478784
3-(2-hexylphenyl)thiophene
CID 174751094
3-(2-methyloctoxy)thiophene
CID 160790132
1-dihexadecoxyphosphoryl-N-methyl-1-thiophen-3-ylmethanamine
CID 10372139

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxy-5-thiophen-3-ylthiophene?
The IUPAC name of 2-dodecoxy-5-thiophen-3-ylthiophene (CID 155797466) is 2-dodecoxy-5-thiophen-3-ylthiophene.
What is the SMILES notation for 2-dodecoxy-5-thiophen-3-ylthiophene?
The canonical SMILES for 2-dodecoxy-5-thiophen-3-ylthiophene is CCCCCCCCCCCCOc1ccc(-c2ccsc2)s1.
What is the InChIKey of 2-dodecoxy-5-thiophen-3-ylthiophene?
The InChIKey is YLTOGBMOIWPIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30OS2/c1-2-3-4-5-6-7-8-9-10-11-15-21-20-13-12-19(23-20)18-14-16-22-17-18/h12-14,16-17H,2-11,15H2,1H3.
What are the key properties of 2-dodecoxy-5-thiophen-3-ylthiophene?
2-dodecoxy-5-thiophen-3-ylthiophene has a molecular weight of 350.59 g/mol, XLogP of 7.78, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxy-5-thiophen-3-ylthiophene is sourced from PubChem (CID 155797466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).