2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol

C11H16OS — CID 58540110

IUPAC2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol
SMILESCC(C)(C)c1cc2c(s1)CCC2O
InChIInChI=1S/C11H16OS/c1-11(2,3)10-6-7-8(12)4-5-9(7)13-10/h6,8,12H,4-5H2,1-3H3
InChIKeyVGFIJRQJILSIIV-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.03
Rot. Bonds

About 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol

2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol (PubChem CID 58540110) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol.

Molecular Properties

Compound Name2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol
PubChem CID58540110
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol
SMILESCC(C)(C)c1cc2c(s1)CCC2O
InChIInChI=1S/C11H16OS/c1-11(2,3)10-6-7-8(12)4-5-9(7)13-10/h6,8,12H,4-5H2,1-3H3
InChIKeyVGFIJRQJILSIIV-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol?
The IUPAC name of 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol (CID 58540110) is 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol.
What is the SMILES notation for 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol?
The canonical SMILES for 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol is CC(C)(C)c1cc2c(s1)CCC2O.
What is the InChIKey of 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol?
The InChIKey is VGFIJRQJILSIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-11(2,3)10-6-7-8(12)4-5-9(7)13-10/h6,8,12H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol?
2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol has a molecular weight of 196.31 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol is sourced from PubChem (CID 58540110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).