2-cyclohexyl-2-methyl-1,3-oxathiolane

C10H18OS — CID 11469504

IUPAC2-cyclohexyl-2-methyl-1,3-oxathiolane
SMILESCC1(C2CCCCC2)OCCS1
InChIInChI=1S/C10H18OS/c1-10(11-7-8-12-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyZOSYKZSDDGKSGO-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.05
Rot. Bonds1

About 2-cyclohexyl-2-methyl-1,3-oxathiolane

2-cyclohexyl-2-methyl-1,3-oxathiolane (PubChem CID 11469504) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-cyclohexyl-2-methyl-1,3-oxathiolane
PubChem CID11469504
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-cyclohexyl-2-methyl-1,3-oxathiolane
SMILESCC1(C2CCCCC2)OCCS1
InChIInChI=1S/C10H18OS/c1-10(11-7-8-12-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyZOSYKZSDDGKSGO-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-2-methyl-1,3-oxathiolane 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-cyclohexyl-2-methyl-1,3-oxathiolane?
The IUPAC name of 2-cyclohexyl-2-methyl-1,3-oxathiolane (CID 11469504) is 2-cyclohexyl-2-methyl-1,3-oxathiolane.
What is the SMILES notation for 2-cyclohexyl-2-methyl-1,3-oxathiolane?
The canonical SMILES for 2-cyclohexyl-2-methyl-1,3-oxathiolane is CC1(C2CCCCC2)OCCS1.
What is the InChIKey of 2-cyclohexyl-2-methyl-1,3-oxathiolane?
The InChIKey is ZOSYKZSDDGKSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-10(11-7-8-12-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-2-methyl-1,3-oxathiolane?
2-cyclohexyl-2-methyl-1,3-oxathiolane has a molecular weight of 186.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methyl-1,3-oxathiolane is sourced from PubChem (CID 11469504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).