4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol

C10H18O4S — CID 79422782

IUPAC4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(C2CCCCC2O)C1
InChIInChI=1S/C10H18O4S/c11-9-4-2-1-3-7(9)8-5-15(13,14)6-10(8)12/h7-12H,1-6H2
InChIKeyVQHFBBKYVWCOSP-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.06
Rot. Bonds1

About 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol

4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol (PubChem CID 79422782) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol
PubChem CID79422782
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(C2CCCCC2O)C1
InChIInChI=1S/C10H18O4S/c11-9-4-2-1-3-7(9)8-5-15(13,14)6-10(8)12/h7-12H,1-6H2
InChIKeyVQHFBBKYVWCOSP-UHFFFAOYSA-N
XLogP-0.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-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 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol (CID 79422782) is 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(C2CCCCC2O)C1.
What is the InChIKey of 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol?
The InChIKey is VQHFBBKYVWCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c11-9-4-2-1-3-7(9)8-5-15(13,14)6-10(8)12/h7-12H,1-6H2.
What are the key properties of 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol?
4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol has a molecular weight of 234.32 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxycyclohexyl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 79422782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).