oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate

C10H14O8S — CID 156636382

IUPACoxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate
SMILESO=C(CS(=O)(=O)CC(=O)OCC1CO1)OCC1CO1
InChIInChI=1S/C10H14O8S/c11-9(17-3-7-1-15-7)5-19(13,14)6-10(12)18-4-8-2-16-8/h7-8H,1-6H2
InChIKeyXKDJNOATOQUUKQ-UHFFFAOYSA-N
MW294.28 g/mol
LogP-1.71
Rot. Bonds8

About oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate

oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate (PubChem CID 156636382) has the molecular formula C10H14O8S and a molecular weight of 294.28 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate
PubChem CID156636382
Molecular FormulaC10H14O8S
Molecular Weight294.28 g/mol
Exact Mass294.04
IUPAC Nameoxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate
SMILESO=C(CS(=O)(=O)CC(=O)OCC1CO1)OCC1CO1
InChIInChI=1S/C10H14O8S/c11-9(17-3-7-1-15-7)5-19(13,14)6-10(12)18-4-8-2-16-8/h7-8H,1-6H2
InChIKeyXKDJNOATOQUUKQ-UHFFFAOYSA-N
XLogP-1.71
TPSA111.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate?
The IUPAC name of oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate (CID 156636382) is oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate.
What is the SMILES notation for oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate?
The canonical SMILES for oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate is O=C(CS(=O)(=O)CC(=O)OCC1CO1)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate?
The InChIKey is XKDJNOATOQUUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O8S/c11-9(17-3-7-1-15-7)5-19(13,14)6-10(12)18-4-8-2-16-8/h7-8H,1-6H2.
What are the key properties of oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate?
oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate has a molecular weight of 294.28 g/mol, XLogP of -1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate is sourced from PubChem (CID 156636382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).