2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide

C8H14O5S2 — CID 176605023

IUPAC2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
SMILESC=COCC1(C)CS(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C8H14O5S2/c1-3-13-6-8(2)7-14(9,10)4-5-15(8,11)12/h3H,1,4-7H2,2H3
InChIKeyGSBYKEWHEDIKMZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.25
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide

2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide (PubChem CID 176605023) has the molecular formula C8H14O5S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
PubChem CID176605023
Molecular FormulaC8H14O5S2
Molecular Weight254.33 g/mol
Exact Mass254.03
IUPAC Name2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
SMILESC=COCC1(C)CS(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C8H14O5S2/c1-3-13-6-8(2)7-14(9,10)4-5-15(8,11)12/h3H,1,4-7H2,2H3
InChIKeyGSBYKEWHEDIKMZ-UHFFFAOYSA-N
XLogP-0.25
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide 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-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide?
The IUPAC name of 2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide (CID 176605023) is 2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide?
The canonical SMILES for 2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide is C=COCC1(C)CS(=O)(=O)CCS1(=O)=O.
What is the InChIKey of 2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide?
The InChIKey is GSBYKEWHEDIKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S2/c1-3-13-6-8(2)7-14(9,10)4-5-15(8,11)12/h3H,1,4-7H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide?
2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide has a molecular weight of 254.33 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide is sourced from PubChem (CID 176605023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).