(4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol

C15H22OS — CID 54759913

IUPAC(4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol
SMILESCC1(C)CCC[C@@]2(C)c3sccc3[C@@H](O)[C@@]12C
InChIInChI=1S/C15H22OS/c1-13(2)7-5-8-14(3)12-10(6-9-17-12)11(16)15(13,14)4/h6,9,11,16H,5,7-8H2,1-4H3/t11-,14+,15+/m1/s1
InChIKeyTYLJGVYXQQLCIZ-UGFHNGPFSA-N
MW250.41 g/mol
LogP4.27
Rot. Bonds

About (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol

(4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol (PubChem CID 54759913) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol.

Molecular Properties

Compound Name(4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol
PubChem CID54759913
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name(4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol
SMILESCC1(C)CCC[C@@]2(C)c3sccc3[C@@H](O)[C@@]12C
InChIInChI=1S/C15H22OS/c1-13(2)7-5-8-14(3)12-10(6-9-17-12)11(16)15(13,14)4/h6,9,11,16H,5,7-8H2,1-4H3/t11-,14+,15+/m1/s1
InChIKeyTYLJGVYXQQLCIZ-UGFHNGPFSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-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 (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol?
The IUPAC name of (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol (CID 54759913) is (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol.
What is the SMILES notation for (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol?
The canonical SMILES for (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol is CC1(C)CCC[C@@]2(C)c3sccc3[C@@H](O)[C@@]12C.
What is the InChIKey of (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol?
The InChIKey is TYLJGVYXQQLCIZ-UGFHNGPFSA-N. The full InChI is InChI=1S/C15H22OS/c1-13(2)7-5-8-14(3)12-10(6-9-17-12)11(16)15(13,14)4/h6,9,11,16H,5,7-8H2,1-4H3/t11-,14+,15+/m1/s1.
What are the key properties of (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol?
(4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol has a molecular weight of 250.41 g/mol, XLogP of 4.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol is sourced from PubChem (CID 54759913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).