ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate

C8H14O3S — CID 548205

IUPACethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate
SMILESCCOC(=O)CC1(C)OCCS1
InChIInChI=1S/C8H14O3S/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3
InChIKeyGJRZXAUPJGXYBA-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.42
Rot. Bonds3

About ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate

ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate (PubChem CID 548205) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate
PubChem CID548205
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Nameethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate
SMILESCCOC(=O)CC1(C)OCCS1
InChIInChI=1S/C8H14O3S/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3
InChIKeyGJRZXAUPJGXYBA-UHFFFAOYSA-N
XLogP1.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate 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 ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate?
The IUPAC name of ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate (CID 548205) is ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate is CCOC(=O)CC1(C)OCCS1.
What is the InChIKey of ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate?
The InChIKey is GJRZXAUPJGXYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate?
ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate has a molecular weight of 190.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate is sourced from PubChem (CID 548205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).