2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol

C13H24O3S — CID 62738839

IUPAC2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C13H24O3S/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-17(15,16)8-11/h9-14H,3-8H2,1-2H3
InChIKeyYKAUYUKHZVKDOY-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.85
Rot. Bonds2

About 2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol

2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62738839) has the molecular formula C13H24O3S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID62738839
Molecular FormulaC13H24O3S
Molecular Weight260.40 g/mol
Exact Mass260.14
IUPAC Name2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C13H24O3S/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-17(15,16)8-11/h9-14H,3-8H2,1-2H3
InChIKeyYKAUYUKHZVKDOY-UHFFFAOYSA-N
XLogP1.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-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-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol (CID 62738839) is 2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is YKAUYUKHZVKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3S/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-17(15,16)8-11/h9-14H,3-8H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol?
2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 260.40 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62738839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).