3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one

C6H12O4Si — CID 141268678

IUPAC3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one
SMILESCO[Si](C)(C)OCC1OC1=O
InChIInChI=1S/C6H12O4Si/c1-8-11(2,3)9-4-5-6(7)10-5/h5H,4H2,1-3H3
InChIKeyDBNFBQBGQCLRLO-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.28
Rot. Bonds4

About 3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one

3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one (PubChem CID 141268678) has the molecular formula C6H12O4Si and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one.

Molecular Properties

Compound Name3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one
PubChem CID141268678
Molecular FormulaC6H12O4Si
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one
SMILESCO[Si](C)(C)OCC1OC1=O
InChIInChI=1S/C6H12O4Si/c1-8-11(2,3)9-4-5-6(7)10-5/h5H,4H2,1-3H3
InChIKeyDBNFBQBGQCLRLO-UHFFFAOYSA-N
XLogP0.28
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one?
The IUPAC name of 3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one (CID 141268678) is 3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one.
What is the SMILES notation for 3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one?
The canonical SMILES for 3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one is CO[Si](C)(C)OCC1OC1=O.
What is the InChIKey of 3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one?
The InChIKey is DBNFBQBGQCLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4Si/c1-8-11(2,3)9-4-5-6(7)10-5/h5H,4H2,1-3H3.
What are the key properties of 3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one?
3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one has a molecular weight of 176.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methoxy(dimethyl)silyl]oxymethyl]oxiran-2-one is sourced from PubChem (CID 141268678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).