[oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate

C10H18O6Si — CID 123777311

IUPAC[oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[SiH](COCC1CO1)OC(=O)CC
InChIInChI=1S/C10H18O6Si/c1-3-9(11)15-17(16-10(12)4-2)7-13-5-8-6-14-8/h8,17H,3-7H2,1-2H3
InChIKeyBBPFTDQSQHVGCR-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.07
Rot. Bonds8

About [oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate

[oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate (PubChem CID 123777311) has the molecular formula C10H18O6Si and a molecular weight of 262.33 g/mol. Its IUPAC name is [oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate.

Molecular Properties

Compound Name[oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate
PubChem CID123777311
Molecular FormulaC10H18O6Si
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name[oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[SiH](COCC1CO1)OC(=O)CC
InChIInChI=1S/C10H18O6Si/c1-3-9(11)15-17(16-10(12)4-2)7-13-5-8-6-14-8/h8,17H,3-7H2,1-2H3
InChIKeyBBPFTDQSQHVGCR-UHFFFAOYSA-N
XLogP0.07
TPSA74.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ylmethoxymethyl(propanoyloxy)silyl] propanoate?
The IUPAC name of [oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate (CID 123777311) is [oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate.
What is the SMILES notation for [oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate?
The canonical SMILES for [oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate is CCC(=O)O[SiH](COCC1CO1)OC(=O)CC.
What is the InChIKey of [oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate?
The InChIKey is BBPFTDQSQHVGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6Si/c1-3-9(11)15-17(16-10(12)4-2)7-13-5-8-6-14-8/h8,17H,3-7H2,1-2H3.
What are the key properties of [oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate?
[oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate has a molecular weight of 262.33 g/mol, XLogP of 0.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [oxiran-2-ylmethoxymethyl(propanoyloxy)silyl] propanoate is sourced from PubChem (CID 123777311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).