dimethylsilane;isocyanic acid

C4H10N2O2Si — CID 172833315

IUPACdimethylsilane;isocyanic acid
SMILESC[SiH2]C.N=C=O.N=C=O
InChIInChI=1S/C2H8Si.2CHNO/c1-3-2;2*2-1-3/h3H2,1-2H3;2*2H
InChIKeyVUPOPVGVEARXGA-UHFFFAOYSA-N
MW146.22 g/mol
LogP0.05
Rot. Bonds

About dimethylsilane;isocyanic acid

dimethylsilane;isocyanic acid (PubChem CID 172833315) has the molecular formula C4H10N2O2Si and a molecular weight of 146.22 g/mol. Its IUPAC name is dimethylsilane;isocyanic acid.

Molecular Properties

Compound Namedimethylsilane;isocyanic acid
PubChem CID172833315
Molecular FormulaC4H10N2O2Si
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Namedimethylsilane;isocyanic acid
SMILESC[SiH2]C.N=C=O.N=C=O
InChIInChI=1S/C2H8Si.2CHNO/c1-3-2;2*2-1-3/h3H2,1-2H3;2*2H
InChIKeyVUPOPVGVEARXGA-UHFFFAOYSA-N
XLogP0.05
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 dimethylsilane;isocyanic acid?
The IUPAC name of dimethylsilane;isocyanic acid (CID 172833315) is dimethylsilane;isocyanic acid.
What is the SMILES notation for dimethylsilane;isocyanic acid?
The canonical SMILES for dimethylsilane;isocyanic acid is C[SiH2]C.N=C=O.N=C=O.
What is the InChIKey of dimethylsilane;isocyanic acid?
The InChIKey is VUPOPVGVEARXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8Si.2CHNO/c1-3-2;2*2-1-3/h3H2,1-2H3;2*2H.
What are the key properties of dimethylsilane;isocyanic acid?
dimethylsilane;isocyanic acid has a molecular weight of 146.22 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilane;isocyanic acid is sourced from PubChem (CID 172833315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).