oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate

C8H16O4Si — CID 123625265

IUPACoxiran-2-ylmethyl 3-dimethylsilyloxypropanoate
SMILESC[SiH](C)OCCC(=O)OCC1CO1
InChIInChI=1S/C8H16O4Si/c1-13(2)12-4-3-8(9)11-6-7-5-10-7/h7,13H,3-6H2,1-2H3
InChIKeyCZDVFUGULKUGFY-UHFFFAOYSA-N
MW204.30 g/mol
LogP0.32
Rot. Bonds6

About oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate

oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate (PubChem CID 123625265) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol. Its IUPAC name is oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 3-dimethylsilyloxypropanoate
PubChem CID123625265
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Nameoxiran-2-ylmethyl 3-dimethylsilyloxypropanoate
SMILESC[SiH](C)OCCC(=O)OCC1CO1
InChIInChI=1S/C8H16O4Si/c1-13(2)12-4-3-8(9)11-6-7-5-10-7/h7,13H,3-6H2,1-2H3
InChIKeyCZDVFUGULKUGFY-UHFFFAOYSA-N
XLogP0.32
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.32
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 oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate?
The IUPAC name of oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate (CID 123625265) is oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate.
What is the SMILES notation for oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate?
The canonical SMILES for oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate is C[SiH](C)OCCC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate?
The InChIKey is CZDVFUGULKUGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-13(2)12-4-3-8(9)11-6-7-5-10-7/h7,13H,3-6H2,1-2H3.
What are the key properties of oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate?
oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate has a molecular weight of 204.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 3-dimethylsilyloxypropanoate is sourced from PubChem (CID 123625265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).