ethoxy(trihydroxy)silane;isocyanic acid

C3H9NO5Si — CID 174903172

IUPACethoxy(trihydroxy)silane;isocyanic acid
SMILESCCO[Si](O)(O)O.N=C=O
InChIInChI=1S/C2H8O4Si.CHNO/c1-2-6-7(3,4)5;2-1-3/h3-5H,2H2,1H3;2H
InChIKeyAZEGZPBZBDDRKF-UHFFFAOYSA-N
MW167.19 g/mol
LogP-1.66
Rot. Bonds2

About ethoxy(trihydroxy)silane;isocyanic acid

ethoxy(trihydroxy)silane;isocyanic acid (PubChem CID 174903172) has the molecular formula C3H9NO5Si and a molecular weight of 167.19 g/mol. Its IUPAC name is ethoxy(trihydroxy)silane;isocyanic acid.

Molecular Properties

Compound Nameethoxy(trihydroxy)silane;isocyanic acid
PubChem CID174903172
Molecular FormulaC3H9NO5Si
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Nameethoxy(trihydroxy)silane;isocyanic acid
SMILESCCO[Si](O)(O)O.N=C=O
InChIInChI=1S/C2H8O4Si.CHNO/c1-2-6-7(3,4)5;2-1-3/h3-5H,2H2,1H3;2H
InChIKeyAZEGZPBZBDDRKF-UHFFFAOYSA-N
XLogP-1.66
TPSA110.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

ethoxy(trihydroxy)silane;phosphane
CID 174965981
magnesium;ethoxy(trihydroxy)silane;hydride
CID 174951235
ethoxy-dimethyl-propylsilane;isocyanic acid
CID 175112717
ethanol;isocyanic acid;silane
CID 173153044
isocyanic acid;methane;propane
CID 174983987
isocyanic acid;propan-1-ol
CID 87862786
isocyanic acid;propan-1-ol
CID 172714127
boric acid;isocyanic acid;triethoxysilane
CID 159384027
butane;ethane;isocyanic acid
CID 175178457
ethoxy(ethyl)silane;isocyanic acid
CID 172752724
diethyl(dimethyl)silane;isocyanic acid
CID 174661857
ethoxy-[2-[ethoxy(dihydroxy)silyl]ethyl]-dihydroxysilane
CID 87194100

Frequently Asked Questions

What is the IUPAC name of ethoxy(trihydroxy)silane;isocyanic acid?
The IUPAC name of ethoxy(trihydroxy)silane;isocyanic acid (CID 174903172) is ethoxy(trihydroxy)silane;isocyanic acid.
What is the SMILES notation for ethoxy(trihydroxy)silane;isocyanic acid?
The canonical SMILES for ethoxy(trihydroxy)silane;isocyanic acid is CCO[Si](O)(O)O.N=C=O.
What is the InChIKey of ethoxy(trihydroxy)silane;isocyanic acid?
The InChIKey is AZEGZPBZBDDRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O4Si.CHNO/c1-2-6-7(3,4)5;2-1-3/h3-5H,2H2,1H3;2H.
What are the key properties of ethoxy(trihydroxy)silane;isocyanic acid?
ethoxy(trihydroxy)silane;isocyanic acid has a molecular weight of 167.19 g/mol, XLogP of -1.66, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(trihydroxy)silane;isocyanic acid is sourced from PubChem (CID 174903172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).