dimethoxysilane;isocyanic acid

C4H10N2O4Si — CID 172723549

IUPACdimethoxysilane;isocyanic acid
SMILESCO[SiH2]OC.N=C=O.N=C=O
InChIInChI=1S/C2H8O2Si.2CHNO/c1-3-5-4-2;2*2-1-3/h5H2,1-2H3;2*2H
InChIKeyGVMMJCGJERHTLP-UHFFFAOYSA-N
MW178.22 g/mol
LogP-0.92
Rot. Bonds2

About dimethoxysilane;isocyanic acid

dimethoxysilane;isocyanic acid (PubChem CID 172723549) has the molecular formula C4H10N2O4Si and a molecular weight of 178.22 g/mol. Its IUPAC name is dimethoxysilane;isocyanic acid.

Molecular Properties

Compound Namedimethoxysilane;isocyanic acid
PubChem CID172723549
Molecular FormulaC4H10N2O4Si
Molecular Weight178.22 g/mol
Exact Mass178.04
IUPAC Namedimethoxysilane;isocyanic acid
SMILESCO[SiH2]OC.N=C=O.N=C=O
InChIInChI=1S/C2H8O2Si.2CHNO/c1-3-5-4-2;2*2-1-3/h5H2,1-2H3;2*2H
InChIKeyGVMMJCGJERHTLP-UHFFFAOYSA-N
XLogP-0.92
TPSA100.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of dimethoxysilane;isocyanic acid?
The IUPAC name of dimethoxysilane;isocyanic acid (CID 172723549) is dimethoxysilane;isocyanic acid.
What is the SMILES notation for dimethoxysilane;isocyanic acid?
The canonical SMILES for dimethoxysilane;isocyanic acid is CO[SiH2]OC.N=C=O.N=C=O.
What is the InChIKey of dimethoxysilane;isocyanic acid?
The InChIKey is GVMMJCGJERHTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O2Si.2CHNO/c1-3-5-4-2;2*2-1-3/h5H2,1-2H3;2*2H.
What are the key properties of dimethoxysilane;isocyanic acid?
dimethoxysilane;isocyanic acid has a molecular weight of 178.22 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxysilane;isocyanic acid is sourced from PubChem (CID 172723549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).