2-decyl-5-methoxythieno[3,2-b]thiophene

C17H26OS2 — CID 118067119

IUPAC2-decyl-5-methoxythieno[3,2-b]thiophene
SMILESCCCCCCCCCCc1cc2sc(OC)cc2s1
InChIInChI=1S/C17H26OS2/c1-3-4-5-6-7-8-9-10-11-14-12-15-16(19-14)13-17(18-2)20-15/h12-13H,3-11H2,1-2H3
InChIKeyXKHVTRONCRGNIL-UHFFFAOYSA-N
MW310.53 g/mol
LogP6.65
Rot. Bonds10

About 2-decyl-5-methoxythieno[3,2-b]thiophene

2-decyl-5-methoxythieno[3,2-b]thiophene (PubChem CID 118067119) has the molecular formula C17H26OS2 and a molecular weight of 310.53 g/mol. Its IUPAC name is 2-decyl-5-methoxythieno[3,2-b]thiophene.

Molecular Properties

Compound Name2-decyl-5-methoxythieno[3,2-b]thiophene
PubChem CID118067119
Molecular FormulaC17H26OS2
Molecular Weight310.53 g/mol
Exact Mass310.14
IUPAC Name2-decyl-5-methoxythieno[3,2-b]thiophene
SMILESCCCCCCCCCCc1cc2sc(OC)cc2s1
InChIInChI=1S/C17H26OS2/c1-3-4-5-6-7-8-9-10-11-14-12-15-16(19-14)13-17(18-2)20-15/h12-13H,3-11H2,1-2H3
InChIKeyXKHVTRONCRGNIL-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2':5',2''-Terthiophene, 3'-methoxy-
CID 373943
4,4'-Dimethoxy-2,2'-bithiophene
CID 642346
2,2'-Bithiophene, 4,4'-bis(pentyloxy)-
CID 12097913
5-Methoxythieno[3,2-b]thiophene
CID 12240159
Methoxybithienyl
CID 18353954
3,4-Difluoro-2-(5-hexylthiophen-2-yl)-5-methoxythiophene
CID 134451308
Thieno[3,2-b]thiophene, 2,5-dimethoxy-
CID 603996
2-Methoxy-5-thiophen-2-ylthiophene
CID 10330324
2,2':5',2''-Terthiophene, 5-methoxy-
CID 10401342
3-Methoxy-2-(4-methoxythiophen-2-yl)thiophene
CID 21672354
3-Ethoxy-2,5-dithiophen-2-ylthiophene
CID 21920555
5-Ethoxy-2,2'-bithiophene
CID 23245340

Frequently Asked Questions

What is the IUPAC name of 2-decyl-5-methoxythieno[3,2-b]thiophene?
The IUPAC name of 2-decyl-5-methoxythieno[3,2-b]thiophene (CID 118067119) is 2-decyl-5-methoxythieno[3,2-b]thiophene.
What is the SMILES notation for 2-decyl-5-methoxythieno[3,2-b]thiophene?
The canonical SMILES for 2-decyl-5-methoxythieno[3,2-b]thiophene is CCCCCCCCCCc1cc2sc(OC)cc2s1.
What is the InChIKey of 2-decyl-5-methoxythieno[3,2-b]thiophene?
The InChIKey is XKHVTRONCRGNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OS2/c1-3-4-5-6-7-8-9-10-11-14-12-15-16(19-14)13-17(18-2)20-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-decyl-5-methoxythieno[3,2-b]thiophene?
2-decyl-5-methoxythieno[3,2-b]thiophene has a molecular weight of 310.53 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-5-methoxythieno[3,2-b]thiophene is sourced from PubChem (CID 118067119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).