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

C8H14O3S2 — CID 176604429

IUPAC2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide
SMILESC=COC(C)C1CS(=O)CCS1=O
InChIInChI=1S/C8H14O3S2/c1-3-11-7(2)8-6-12(9)4-5-13(8)10/h3,7-8H,1,4-6H2,2H3
InChIKeyOVPAMZQTXKFKKR-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.41
Rot. Bonds3

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

2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide (PubChem CID 176604429) has the molecular formula C8H14O3S2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide.

Molecular Properties

Compound Name2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide
PubChem CID176604429
Molecular FormulaC8H14O3S2
Molecular Weight222.33 g/mol
Exact Mass222.04
IUPAC Name2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide
SMILESC=COC(C)C1CS(=O)CCS1=O
InChIInChI=1S/C8H14O3S2/c1-3-11-7(2)8-6-12(9)4-5-13(8)10/h3,7-8H,1,4-6H2,2H3
InChIKeyOVPAMZQTXKFKKR-UHFFFAOYSA-N
XLogP0.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Ethenoxyethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176602971
2-(2-Ethenoxyethyl)-1,4-dithiane 1,4-dioxide
CID 176603558
2-(1-Ethenoxyethyl)-1,4-dithiane
CID 176604272
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane 1,4-dioxide
CID 176604407
2-(Ethenoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176604446
2-(1-Ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604729
2-(Ethenoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide
CID 176604763
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-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane 1,4-dioxide
CID 176605342

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide?
The IUPAC name of 2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide (CID 176604429) is 2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide.
What is the SMILES notation for 2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide?
The canonical SMILES for 2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide is C=COC(C)C1CS(=O)CCS1=O.
What is the InChIKey of 2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide?
The InChIKey is OVPAMZQTXKFKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S2/c1-3-11-7(2)8-6-12(9)4-5-13(8)10/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide?
2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide has a molecular weight of 222.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxyethyl)-1,4-dithiane 1,4-dioxide is sourced from PubChem (CID 176604429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).