2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene

C17H26S2 — CID 71209664

IUPAC2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene
SMILESCCCC(C)(C)c1cc2sc(C(C)(C)CC)cc2s1
InChIInChI=1S/C17H26S2/c1-7-9-17(5,6)15-11-13-12(19-15)10-14(18-13)16(3,4)8-2/h10-11H,7-9H2,1-6H3
InChIKeyTUIKJBXSDPYFMX-UHFFFAOYSA-N
MW294.53 g/mol
LogP6.73
Rot. Bonds5

About 2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene

2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene (PubChem CID 71209664) has the molecular formula C17H26S2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene
PubChem CID71209664
Molecular FormulaC17H26S2
Molecular Weight294.53 g/mol
Exact Mass294.15
IUPAC Name2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene
SMILESCCCC(C)(C)c1cc2sc(C(C)(C)CC)cc2s1
InChIInChI=1S/C17H26S2/c1-7-9-17(5,6)15-11-13-12(19-15)10-14(18-13)16(3,4)8-2/h10-11H,7-9H2,1-6H3
InChIKeyTUIKJBXSDPYFMX-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(2-methylpentan-2-yl)thiophene
CID 146378512
2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol
CID 22146399
2-butan-2-yl-7-(2-methylbutan-2-yl)-[1]benzothiolo[6,5-f][1]benzothiole
CID 71080847
3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene
CID 146378159
1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 129136157
5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol
CID 70641244
5-(2-methylpentan-2-yl)-1-benzothiophene
CID 134565390
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
3-bromo-5-(4-bromo-2-methylbutan-2-yl)-2-methylthiophene
CID 102838828
3-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 79990859
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
3-(4-bromo-5-methylthiophen-2-yl)-3-methylbutan-1-amine
CID 102838799

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene?
The IUPAC name of 2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene (CID 71209664) is 2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene?
The canonical SMILES for 2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene is CCCC(C)(C)c1cc2sc(C(C)(C)CC)cc2s1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene?
The InChIKey is TUIKJBXSDPYFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26S2/c1-7-9-17(5,6)15-11-13-12(19-15)10-14(18-13)16(3,4)8-2/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene?
2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene has a molecular weight of 294.53 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)thieno[3,2-b]thiophene is sourced from PubChem (CID 71209664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).