3-(ethoxymethyl)-2-methoxythiolane

C8H16O2S — CID 163657196

IUPAC3-(ethoxymethyl)-2-methoxythiolane
SMILESCCOCC1CCSC1OC
InChIInChI=1S/C8H16O2S/c1-3-10-6-7-4-5-11-8(7)9-2/h7-8H,3-6H2,1-2H3
InChIKeyIRHARILTGOOINZ-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.75
Rot. Bonds4

About 3-(ethoxymethyl)-2-methoxythiolane

3-(ethoxymethyl)-2-methoxythiolane (PubChem CID 163657196) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2-methoxythiolane.

Molecular Properties

Compound Name3-(ethoxymethyl)-2-methoxythiolane
PubChem CID163657196
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name3-(ethoxymethyl)-2-methoxythiolane
SMILESCCOCC1CCSC1OC
InChIInChI=1S/C8H16O2S/c1-3-10-6-7-4-5-11-8(7)9-2/h7-8H,3-6H2,1-2H3
InChIKeyIRHARILTGOOINZ-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(ethoxymethyl)-2-methoxythiolane 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 3-(ethoxymethyl)-2-methoxythiolane?
The IUPAC name of 3-(ethoxymethyl)-2-methoxythiolane (CID 163657196) is 3-(ethoxymethyl)-2-methoxythiolane.
What is the SMILES notation for 3-(ethoxymethyl)-2-methoxythiolane?
The canonical SMILES for 3-(ethoxymethyl)-2-methoxythiolane is CCOCC1CCSC1OC.
What is the InChIKey of 3-(ethoxymethyl)-2-methoxythiolane?
The InChIKey is IRHARILTGOOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-3-10-6-7-4-5-11-8(7)9-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-2-methoxythiolane?
3-(ethoxymethyl)-2-methoxythiolane has a molecular weight of 176.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-2-methoxythiolane is sourced from PubChem (CID 163657196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).