2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol

C6H12O4S — CID 20744760

IUPAC2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol
SMILESCCOOCC1OC(O)CS1
InChIInChI=1S/C6H12O4S/c1-2-8-9-3-6-10-5(7)4-11-6/h5-7H,2-4H2,1H3
InChIKeyMBFAYKOBVZZPQT-UHFFFAOYSA-N
MW180.22 g/mol
LogP0.36
Rot. Bonds4

About 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol

2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol (PubChem CID 20744760) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol.

Molecular Properties

Compound Name2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol
PubChem CID20744760
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol
SMILESCCOOCC1OC(O)CS1
InChIInChI=1S/C6H12O4S/c1-2-8-9-3-6-10-5(7)4-11-6/h5-7H,2-4H2,1H3
InChIKeyMBFAYKOBVZZPQT-UHFFFAOYSA-N
XLogP0.36
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-Ethoxy-1,3-oxathiolan-2-yl)methanol
CID 15168217
(2R)-2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 170456158
2-(4,5-Dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol
CID 15043698
2-[2-[1,3-Dioxolan-2-yl]ethylthio]ethanol
CID 19082181
(2-Ethyl-1,3-dioxolan-4-yl)sulfanylmethanol
CID 19861965
2-Ethyl-1,3-oxathiolan-5-ol
CID 20744753
Actinium;2-ethyl-1,3-oxathiolan-5-ol
CID 20744758
Actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 20744762
2-(Hydroxymethyl)-1,3-oxathiolan-5-ol
CID 20744763
2-Methyl-1,3-oxathiolan-5-ol
CID 20744765
(5-Methoxy-1,3-oxathiolan-2-yl)methanol
CID 21262707
(2r)-5-Methoxy-1,3-oxathiolane-2-methanol
CID 45090848

Frequently Asked Questions

What is the IUPAC name of 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol?
The IUPAC name of 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol (CID 20744760) is 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol.
What is the SMILES notation for 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol?
The canonical SMILES for 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol is CCOOCC1OC(O)CS1.
What is the InChIKey of 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol?
The InChIKey is MBFAYKOBVZZPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S/c1-2-8-9-3-6-10-5(7)4-11-6/h5-7H,2-4H2,1H3.
What are the key properties of 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol?
2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol has a molecular weight of 180.22 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylperoxymethyl)-1,3-oxathiolan-5-ol is sourced from PubChem (CID 20744760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).