isocyanic acid;methoxysilane

C2H7NO2Si — CID 174614170

IUPACisocyanic acid;methoxysilane
SMILESCO[SiH3].N=C=O
InChIInChI=1S/CHNO.CH6OSi/c2-1-3;1-2-3/h2H;1,3H3
InChIKeyPIMIISZUPDBBML-UHFFFAOYSA-N
MW105.17 g/mol
LogP-1.19
Rot. Bonds

About isocyanic acid;methoxysilane

isocyanic acid;methoxysilane (PubChem CID 174614170) has the molecular formula C2H7NO2Si and a molecular weight of 105.17 g/mol. Its IUPAC name is isocyanic acid;methoxysilane.

Molecular Properties

Compound Nameisocyanic acid;methoxysilane
PubChem CID174614170
Molecular FormulaC2H7NO2Si
Molecular Weight105.17 g/mol
Exact Mass105.02
IUPAC Nameisocyanic acid;methoxysilane
SMILESCO[SiH3].N=C=O
InChIInChI=1S/CHNO.CH6OSi/c2-1-3;1-2-3/h2H;1,3H3
InChIKeyPIMIISZUPDBBML-UHFFFAOYSA-N
XLogP-1.19
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.17
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze isocyanic acid;methoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;methoxysilane?
The IUPAC name of isocyanic acid;methoxysilane (CID 174614170) 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.
What is the InChIKey of isocyanic acid;methoxysilane?
The InChIKey is PIMIISZUPDBBML-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO.CH6OSi/c2-1-3;1-2-3/h2H;1,3H3.
What are the key properties of isocyanic acid;methoxysilane?
isocyanic acid;methoxysilane has a molecular weight of 105.17 g/mol, XLogP of -1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;methoxysilane is sourced from PubChem (CID 174614170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).