2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide

C11H20O5S2 — CID 176602988

IUPAC2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
SMILESCCC1(COC=C(C)C)CS(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C11H20O5S2/c1-4-11(8-16-7-10(2)3)9-17(12,13)5-6-18(11,14)15/h7H,4-6,8-9H2,1-3H3
InChIKeyGIZYKNQAUPCFOL-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.92
Rot. Bonds4

About 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide

2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide (PubChem CID 176602988) has the molecular formula C11H20O5S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide.

Molecular Properties

Compound Name2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
PubChem CID176602988
Molecular FormulaC11H20O5S2
Molecular Weight296.41 g/mol
Exact Mass296.08
IUPAC Name2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
SMILESCCC1(COC=C(C)C)CS(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C11H20O5S2/c1-4-11(8-16-7-10(2)3)9-17(12,13)5-6-18(11,14)15/h7H,4-6,8-9H2,1-3H3
InChIKeyGIZYKNQAUPCFOL-UHFFFAOYSA-N
XLogP0.92
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-(2-methylprop-1-enoxymethyl)-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

Related Compounds

4-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176602955
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane 1,4-dioxide
CID 176602977
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane 1,4-dioxide
CID 176603044
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603045
2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603162
2-[3-(2-Methylprop-1-enoxy)propyl]-1,4-dithiane 1,4-dioxide
CID 176603223
4-(2-Methylprop-1-enoxymethyl)thiane 1-oxide
CID 176603252
2-[1-(2-Methylprop-1-enoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603332
2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603424
2-(2-Methylprop-1-enoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603499
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide
CID 176603587
4-Methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide
CID 176603600

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide (CID 176602988) is 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide.
What is the SMILES notation for 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The canonical SMILES for 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide is CCC1(COC=C(C)C)CS(=O)(=O)CCS1(=O)=O.
What is the InChIKey of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The InChIKey is GIZYKNQAUPCFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5S2/c1-4-11(8-16-7-10(2)3)9-17(12,13)5-6-18(11,14)15/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide has a molecular weight of 296.41 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide is sourced from PubChem (CID 176602988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).