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

C8H14O5S2 — CID 176603767

IUPAC2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
SMILESC=COCCC1CS(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C8H14O5S2/c1-2-13-4-3-8-7-14(9,10)5-6-15(8,11)12/h2,8H,1,3-7H2
InChIKeyKNIROEMGRXEKAH-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.25
Rot. Bonds4

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

2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide (PubChem CID 176603767) has the molecular formula C8H14O5S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
PubChem CID176603767
Molecular FormulaC8H14O5S2
Molecular Weight254.33 g/mol
Exact Mass254.03
IUPAC Name2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
SMILESC=COCCC1CS(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C8H14O5S2/c1-2-13-4-3-8-7-14(9,10)5-6-15(8,11)12/h2,8H,1,3-7H2
InChIKeyKNIROEMGRXEKAH-UHFFFAOYSA-N
XLogP-0.25
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Ethenesulfonyl)-4-[4-(ethenesulfonyl)butoxy]butane
CID 19693376
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-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603424
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-(Ethenoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176604446
2-(3-Ethenoxypropyl)-1,4-dithiane 1,4-dioxide
CID 176604632
2-(Ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604690
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The IUPAC name of 2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide (CID 176603767) is 2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide.
What is the SMILES notation for 2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The canonical SMILES for 2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide is C=COCCC1CS(=O)(=O)CCS1(=O)=O.
What is the InChIKey of 2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
The InChIKey is KNIROEMGRXEKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S2/c1-2-13-4-3-8-7-14(9,10)5-6-15(8,11)12/h2,8H,1,3-7H2.
What are the key properties of 2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide?
2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide has a molecular weight of 254.33 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide is sourced from PubChem (CID 176603767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).