2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide

C8H14O5S2 — CID 176604729

IUPAC2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
SMILESC=COC(C)C1CS(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C8H14O5S2/c1-3-13-7(2)8-6-14(9,10)4-5-15(8,11)12/h3,7-8H,1,4-6H2,2H3
InChIKeyWNGSZDFGFFIETH-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.25
Rot. Bonds3

About 2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide

2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide (PubChem CID 176604729) has the molecular formula C8H14O5S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide.

Molecular Properties

Compound Name2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
PubChem CID176604729
Molecular FormulaC8H14O5S2
Molecular Weight254.33 g/mol
Exact Mass254.03
IUPAC Name2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
SMILESC=COC(C)C1CS(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C8H14O5S2/c1-3-13-7(2)8-6-14(9,10)4-5-15(8,11)12/h3,7-8H,1,4-6H2,2H3
InChIKeyWNGSZDFGFFIETH-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-(1-ethenoxyethyl)-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

1,5-Bis(ethenylsulfonyl)-3-methoxypentane
CID 130227085
2-(Butylsulfonylmethyl)-1,4-oxathiane 4,4-dioxide
CID 154140118
2-Ethenoxy-1-methylsulfonylpropane
CID 156673776
1,3-Bis(ethenylsulfonyl)-1-methoxypropane
CID 167424394
2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603162
2-(Ethenoxymethyl)-2-ethyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603648
2-(2-Ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603767
2-(1-Ethenoxyethyl)-1,4-dithiane 1,4-dioxide
CID 176604429
2-(Ethenoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176604446
2-(Ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604690
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604820
2-(Ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176605023

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The IUPAC name of 2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide (CID 176604729) is 2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide.
What is the SMILES notation for 2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The canonical SMILES for 2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide is C=COC(C)C1CS(=O)(=O)CCS1(=O)=O.
What is the InChIKey of 2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The InChIKey is WNGSZDFGFFIETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S2/c1-3-13-7(2)8-6-14(9,10)4-5-15(8,11)12/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
2-(1-ethenoxyethyl)-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-(1-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide is sourced from PubChem (CID 176604729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).