5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene

C22H24O4S4 — CID 175525146

IUPAC5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene
SMILESCOCCOc1cc(-c2cc(OCCOC)c(-c3cc4sc(C)cc4s3)s2)sc1C
InChIInChI=1S/C22H24O4S4/c1-13-9-17-20(27-13)12-21(29-17)22-16(26-8-6-24-4)11-19(30-22)18-10-15(14(2)28-18)25-7-5-23-3/h9-12H,5-8H2,1-4H3
InChIKeyAPQJQXBLTOOUDL-UHFFFAOYSA-N
MW480.70 g/mol
LogP7.09
Rot. Bonds10

About 5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene

5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene (PubChem CID 175525146) has the molecular formula C22H24O4S4 and a molecular weight of 480.70 g/mol. Its IUPAC name is 5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene
PubChem CID175525146
Molecular FormulaC22H24O4S4
Molecular Weight480.70 g/mol
Exact Mass480.06
IUPAC Name5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene
SMILESCOCCOc1cc(-c2cc(OCCOC)c(-c3cc4sc(C)cc4s3)s2)sc1C
InChIInChI=1S/C22H24O4S4/c1-13-9-17-20(27-13)12-21(29-17)22-16(26-8-6-24-4)11-19(30-22)18-10-15(14(2)28-18)25-7-5-23-3/h9-12H,5-8H2,1-4H3
InChIKeyAPQJQXBLTOOUDL-UHFFFAOYSA-N
XLogP7.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.70
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene?
The IUPAC name of 5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene (CID 175525146) is 5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene?
The canonical SMILES for 5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene is COCCOc1cc(-c2cc(OCCOC)c(-c3cc4sc(C)cc4s3)s2)sc1C.
What is the InChIKey of 5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene?
The InChIKey is APQJQXBLTOOUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4S4/c1-13-9-17-20(27-13)12-21(29-17)22-16(26-8-6-24-4)11-19(30-22)18-10-15(14(2)28-18)25-7-5-23-3/h9-12H,5-8H2,1-4H3.
What are the key properties of 5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene?
5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene has a molecular weight of 480.70 g/mol, XLogP of 7.09, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyethoxy)-5-[4-(2-methoxyethoxy)-5-methylthiophen-2-yl]thiophen-2-yl]-2-methylthieno[3,2-b]thiophene is sourced from PubChem (CID 175525146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).