isocyanic acid;methoxysilane

C4H9N3O4Si — CID 172688233

IUPACisocyanic acid;methoxysilane
SMILESCO[SiH3].N=C=O.N=C=O.N=C=O
InChIInChI=1S/3CHNO.CH6OSi/c3*2-1-3;1-2-3/h3*2H;1,3H3
InChIKeyBIBCNLBCIQMWTA-UHFFFAOYSA-N
MW191.22 g/mol
LogP-1.38
Rot. Bonds

About isocyanic acid;methoxysilane

isocyanic acid;methoxysilane (PubChem CID 172688233) has the molecular formula C4H9N3O4Si and a molecular weight of 191.22 g/mol. Its IUPAC name is isocyanic acid;methoxysilane.

Molecular Properties

Compound Nameisocyanic acid;methoxysilane
PubChem CID172688233
Molecular FormulaC4H9N3O4Si
Molecular Weight191.22 g/mol
Exact Mass191.04
IUPAC Nameisocyanic acid;methoxysilane
SMILESCO[SiH3].N=C=O.N=C=O.N=C=O
InChIInChI=1S/3CHNO.CH6OSi/c3*2-1-3;1-2-3/h3*2H;1,3H3
InChIKeyBIBCNLBCIQMWTA-UHFFFAOYSA-N
XLogP-1.38
TPSA131.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 isocyanic acid;methoxysilane?
The IUPAC name of isocyanic acid;methoxysilane (CID 172688233) is isocyanic acid;methoxysilane.
What is the SMILES notation for isocyanic acid;methoxysilane?
The canonical SMILES for isocyanic acid;methoxysilane is CO[SiH3].N=C=O.N=C=O.N=C=O.
What is the InChIKey of isocyanic acid;methoxysilane?
The InChIKey is BIBCNLBCIQMWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHNO.CH6OSi/c3*2-1-3;1-2-3/h3*2H;1,3H3.
What are the key properties of isocyanic acid;methoxysilane?
isocyanic acid;methoxysilane has a molecular weight of 191.22 g/mol, XLogP of -1.38, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;methoxysilane is sourced from PubChem (CID 172688233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).