5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol

C13H18OS2 — CID 115830002

IUPAC5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol
SMILESCC(C)CCCC(O)c1cc2sccc2s1
InChIInChI=1S/C13H18OS2/c1-9(2)4-3-5-10(14)12-8-13-11(16-12)6-7-15-13/h6-10,14H,3-5H2,1-2H3
InChIKeyFRFWKURVKQUUMR-UHFFFAOYSA-N
MW254.42 g/mol
LogP4.82
Rot. Bonds5

About 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol

5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol (PubChem CID 115830002) has the molecular formula C13H18OS2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol.

Molecular Properties

Compound Name5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol
PubChem CID115830002
Molecular FormulaC13H18OS2
Molecular Weight254.42 g/mol
Exact Mass254.08
IUPAC Name5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol
SMILESCC(C)CCCC(O)c1cc2sccc2s1
InChIInChI=1S/C13H18OS2/c1-9(2)4-3-5-10(14)12-8-13-11(16-12)6-7-15-13/h6-10,14H,3-5H2,1-2H3
InChIKeyFRFWKURVKQUUMR-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol with MolForge

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Related Compounds

1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186
5,5,5-trifluoro-1-thieno[3,2-b]thiophen-5-ylpentan-1-ol
CID 115828390
[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744923
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 115826177
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032
2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 107894377
4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104986246
3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115848689

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol?
The IUPAC name of 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol (CID 115830002) is 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol.
What is the SMILES notation for 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol?
The canonical SMILES for 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol is CC(C)CCCC(O)c1cc2sccc2s1.
What is the InChIKey of 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol?
The InChIKey is FRFWKURVKQUUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS2/c1-9(2)4-3-5-10(14)12-8-13-11(16-12)6-7-15-13/h6-10,14H,3-5H2,1-2H3.
What are the key properties of 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol?
5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol is sourced from PubChem (CID 115830002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).