oxiran-2-ylmethyl 3-methylsilyloxypropanoate

C7H14O4Si — CID 123898365

IUPACoxiran-2-ylmethyl 3-methylsilyloxypropanoate
SMILESC[SiH2]OCCC(=O)OCC1CO1
InChIInChI=1S/C7H14O4Si/c1-12-11-3-2-7(8)10-5-6-4-9-6/h6H,2-5,12H2,1H3
InChIKeySXIOXXDYFWCROM-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.53
Rot. Bonds6

About oxiran-2-ylmethyl 3-methylsilyloxypropanoate

oxiran-2-ylmethyl 3-methylsilyloxypropanoate (PubChem CID 123898365) has the molecular formula C7H14O4Si and a molecular weight of 190.27 g/mol. Its IUPAC name is oxiran-2-ylmethyl 3-methylsilyloxypropanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 3-methylsilyloxypropanoate
PubChem CID123898365
Molecular FormulaC7H14O4Si
Molecular Weight190.27 g/mol
Exact Mass190.07
IUPAC Nameoxiran-2-ylmethyl 3-methylsilyloxypropanoate
SMILESC[SiH2]OCCC(=O)OCC1CO1
InChIInChI=1S/C7H14O4Si/c1-12-11-3-2-7(8)10-5-6-4-9-6/h6H,2-5,12H2,1H3
InChIKeySXIOXXDYFWCROM-UHFFFAOYSA-N
XLogP-0.53
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylsilyloxypropanoate?
The IUPAC name of oxiran-2-ylmethyl 3-methylsilyloxypropanoate (CID 123898365) is oxiran-2-ylmethyl 3-methylsilyloxypropanoate.
What is the SMILES notation for oxiran-2-ylmethyl 3-methylsilyloxypropanoate?
The canonical SMILES for oxiran-2-ylmethyl 3-methylsilyloxypropanoate is C[SiH2]OCCC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 3-methylsilyloxypropanoate?
The InChIKey is SXIOXXDYFWCROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4Si/c1-12-11-3-2-7(8)10-5-6-4-9-6/h6H,2-5,12H2,1H3.
What are the key properties of oxiran-2-ylmethyl 3-methylsilyloxypropanoate?
oxiran-2-ylmethyl 3-methylsilyloxypropanoate has a molecular weight of 190.27 g/mol, XLogP of -0.53, 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-methylsilyloxypropanoate is sourced from PubChem (CID 123898365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).