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

C14H20OS2 — CID 115783186

IUPAC1-thieno[3,2-b]thiophen-5-yloctan-1-ol
SMILESCCCCCCCC(O)c1cc2sccc2s1
InChIInChI=1S/C14H20OS2/c1-2-3-4-5-6-7-11(15)13-10-14-12(17-13)8-9-16-14/h8-11,15H,2-7H2,1H3
InChIKeySNTYGZKTAUOFKL-UHFFFAOYSA-N
MW268.45 g/mol
LogP5.36
Rot. Bonds7

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

1-thieno[3,2-b]thiophen-5-yloctan-1-ol (PubChem CID 115783186) has the molecular formula C14H20OS2 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-thieno[3,2-b]thiophen-5-yloctan-1-ol.

Molecular Properties

Compound Name1-thieno[3,2-b]thiophen-5-yloctan-1-ol
PubChem CID115783186
Molecular FormulaC14H20OS2
Molecular Weight268.45 g/mol
Exact Mass268.10
IUPAC Name1-thieno[3,2-b]thiophen-5-yloctan-1-ol
SMILESCCCCCCCC(O)c1cc2sccc2s1
InChIInChI=1S/C14H20OS2/c1-2-3-4-5-6-7-11(15)13-10-14-12(17-13)8-9-16-14/h8-11,15H,2-7H2,1H3
InChIKeySNTYGZKTAUOFKL-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-ylundecan-1-amine
CID 115846032
5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol
CID 115830002
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
5,5,5-trifluoro-1-thieno[3,2-b]thiophen-5-ylpentan-1-ol
CID 115828390
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
1-(4,5-dibromothiophen-2-yl)octan-1-ol
CID 80535373
1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-b]thiophen-5-yloctan-1-ol?
The IUPAC name of 1-thieno[3,2-b]thiophen-5-yloctan-1-ol (CID 115783186) is 1-thieno[3,2-b]thiophen-5-yloctan-1-ol.
What is the SMILES notation for 1-thieno[3,2-b]thiophen-5-yloctan-1-ol?
The canonical SMILES for 1-thieno[3,2-b]thiophen-5-yloctan-1-ol is CCCCCCCC(O)c1cc2sccc2s1.
What is the InChIKey of 1-thieno[3,2-b]thiophen-5-yloctan-1-ol?
The InChIKey is SNTYGZKTAUOFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS2/c1-2-3-4-5-6-7-11(15)13-10-14-12(17-13)8-9-16-14/h8-11,15H,2-7H2,1H3.
What are the key properties of 1-thieno[3,2-b]thiophen-5-yloctan-1-ol?
1-thieno[3,2-b]thiophen-5-yloctan-1-ol has a molecular weight of 268.45 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-b]thiophen-5-yloctan-1-ol is sourced from PubChem (CID 115783186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).