2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate

C9H16O5S — CID 59514941

IUPAC2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate
SMILESCSCCC1(C(=O)OCCO)OCCO1
InChIInChI=1S/C9H16O5S/c1-15-7-2-9(13-5-6-14-9)8(11)12-4-3-10/h10H,2-7H2,1H3
InChIKeyXLNPPQOQQOKTJC-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.02
Rot. Bonds6

About 2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate

2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate (PubChem CID 59514941) has the molecular formula C9H16O5S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate
PubChem CID59514941
Molecular FormulaC9H16O5S
Molecular Weight236.29 g/mol
Exact Mass236.07
IUPAC Name2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate
SMILESCSCCC1(C(=O)OCCO)OCCO1
InChIInChI=1S/C9H16O5S/c1-15-7-2-9(13-5-6-14-9)8(11)12-4-3-10/h10H,2-7H2,1H3
InChIKeyXLNPPQOQQOKTJC-UHFFFAOYSA-N
XLogP0.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate 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-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate (CID 59514941) is 2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate is CSCCC1(C(=O)OCCO)OCCO1.
What is the InChIKey of 2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate?
The InChIKey is XLNPPQOQQOKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S/c1-15-7-2-9(13-5-6-14-9)8(11)12-4-3-10/h10H,2-7H2,1H3.
What are the key properties of 2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate?
2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate has a molecular weight of 236.29 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(2-methylsulfanylethyl)-1,3-dioxolane-2-carboxylate is sourced from PubChem (CID 59514941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).