diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C23H50O9Si2 — CID 87666631

IUPACdiethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCO[Si](C)(OCC)C(CC)OCC1CO1.CCO[Si](CCCOCC1CO1)(OCC)OCC
InChIInChI=1S/C12H26O5Si.C11H24O4Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-5-11(13-9-10-8-12-10)16(4,14-6-2)15-7-3/h12H,4-11H2,1-3H3;10-11H,5-9H2,1-4H3
InChIKeyPUMCRDLXPYXFIF-UHFFFAOYSA-N
MW526.82 g/mol
LogP3.70
Rot. Bonds21

About diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 87666631) has the molecular formula C23H50O9Si2 and a molecular weight of 526.82 g/mol. Its IUPAC name is diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namediethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID87666631
Molecular FormulaC23H50O9Si2
Molecular Weight526.82 g/mol
Exact Mass526.30
IUPAC Namediethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCO[Si](C)(OCC)C(CC)OCC1CO1.CCO[Si](CCCOCC1CO1)(OCC)OCC
InChIInChI=1S/C12H26O5Si.C11H24O4Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-5-11(13-9-10-8-12-10)16(4,14-6-2)15-7-3/h12H,4-11H2,1-3H3;10-11H,5-9H2,1-4H3
InChIKeyPUMCRDLXPYXFIF-UHFFFAOYSA-N
XLogP3.70
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.82
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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Related Compounds

propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173010804
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane
CID 156812550
silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane
CID 173126681
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane
CID 140960756
ethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 161088311
triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87862101
triethoxy-[3-(oxetan-3-ylmethoxy)propyl]silane
CID 11346874
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531

Frequently Asked Questions

What is the IUPAC name of diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 87666631) is diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is CCO[Si](C)(OCC)C(CC)OCC1CO1.CCO[Si](CCCOCC1CO1)(OCC)OCC.
What is the InChIKey of diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is PUMCRDLXPYXFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si.C11H24O4Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-5-11(13-9-10-8-12-10)16(4,14-6-2)15-7-3/h12H,4-11H2,1-3H3;10-11H,5-9H2,1-4H3.
What are the key properties of diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 526.82 g/mol, XLogP of 3.70, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 87666631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).