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

C7H12O5S2 — CID 176604690

IUPAC2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
SMILESC=COCC1CS(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C7H12O5S2/c1-2-12-5-7-6-13(8,9)3-4-14(7,10)11/h2,7H,1,3-6H2
InChIKeyCFKZTUKZWDQTLQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.64
Rot. Bonds3

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

2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide (PubChem CID 176604690) has the molecular formula C7H12O5S2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
PubChem CID176604690
Molecular FormulaC7H12O5S2
Molecular Weight240.30 g/mol
Exact Mass240.01
IUPAC Name2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
SMILESC=COCC1CS(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C7H12O5S2/c1-2-12-5-7-6-13(8,9)3-4-14(7,10)11/h2,7H,1,3-6H2
InChIKeyCFKZTUKZWDQTLQ-UHFFFAOYSA-N
XLogP-0.64
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603162
2-(2-Ethenoxyethyl)-1,4-dithiane 1,4-dioxide
CID 176603558
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-(Ethenoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176604446
2-(3-Ethenoxypropyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604721
2-(1-Ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604729
2-(Ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176605023
2-(Ethenoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176605216
2-(2-Ethenoxyethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176605286

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The IUPAC name of 2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide (CID 176604690) is 2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide.
What is the SMILES notation for 2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The canonical SMILES for 2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide is C=COCC1CS(=O)(=O)CCS1(=O)=O.
What is the InChIKey of 2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The InChIKey is CFKZTUKZWDQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5S2/c1-2-12-5-7-6-13(8,9)3-4-14(7,10)11/h2,7H,1,3-6H2.
What are the key properties of 2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide has a molecular weight of 240.30 g/mol, XLogP of -0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide is sourced from PubChem (CID 176604690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).