ethyl(methoxy)silane;isocyanic acid

C4H11NO2Si — CID 172719825

IUPACethyl(methoxy)silane;isocyanic acid
SMILESCC[SiH2]OC.N=C=O
InChIInChI=1S/C3H10OSi.CHNO/c1-3-5-4-2;2-1-3/h3,5H2,1-2H3;2H
InChIKeyGIVWFNPPSIBFAI-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.06
Rot. Bonds2

About ethyl(methoxy)silane;isocyanic acid

ethyl(methoxy)silane;isocyanic acid (PubChem CID 172719825) has the molecular formula C4H11NO2Si and a molecular weight of 133.22 g/mol. Its IUPAC name is ethyl(methoxy)silane;isocyanic acid.

Molecular Properties

Compound Nameethyl(methoxy)silane;isocyanic acid
PubChem CID172719825
Molecular FormulaC4H11NO2Si
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Nameethyl(methoxy)silane;isocyanic acid
SMILESCC[SiH2]OC.N=C=O
InChIInChI=1S/C3H10OSi.CHNO/c1-3-5-4-2;2-1-3/h3,5H2,1-2H3;2H
InChIKeyGIVWFNPPSIBFAI-UHFFFAOYSA-N
XLogP0.06
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.06
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 ethyl(methoxy)silane;isocyanic acid 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 ethyl(methoxy)silane;isocyanic acid?
The IUPAC name of ethyl(methoxy)silane;isocyanic acid (CID 172719825) is ethyl(methoxy)silane;isocyanic acid.
What is the SMILES notation for ethyl(methoxy)silane;isocyanic acid?
The canonical SMILES for ethyl(methoxy)silane;isocyanic acid is CC[SiH2]OC.N=C=O.
What is the InChIKey of ethyl(methoxy)silane;isocyanic acid?
The InChIKey is GIVWFNPPSIBFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10OSi.CHNO/c1-3-5-4-2;2-1-3/h3,5H2,1-2H3;2H.
What are the key properties of ethyl(methoxy)silane;isocyanic acid?
ethyl(methoxy)silane;isocyanic acid has a molecular weight of 133.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(methoxy)silane;isocyanic acid is sourced from PubChem (CID 172719825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).