isocyanic acid;methanol;silane

C4H11N3O4Si — CID 173152915

IUPACisocyanic acid;methanol;silane
SMILESCO.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/3CHNO.CH4O.H4Si/c3*2-1-3;1-2;/h3*2H;2H,1H3;1H4
InChIKeyKWRRNYKZSHGSIL-UHFFFAOYSA-N
MW193.23 g/mol
LogP-2.14
Rot. Bonds

About isocyanic acid;methanol;silane

isocyanic acid;methanol;silane (PubChem CID 173152915) has the molecular formula C4H11N3O4Si and a molecular weight of 193.23 g/mol. Its IUPAC name is isocyanic acid;methanol;silane.

Molecular Properties

Compound Nameisocyanic acid;methanol;silane
PubChem CID173152915
Molecular FormulaC4H11N3O4Si
Molecular Weight193.23 g/mol
Exact Mass193.05
IUPAC Nameisocyanic acid;methanol;silane
SMILESCO.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/3CHNO.CH4O.H4Si/c3*2-1-3;1-2;/h3*2H;2H,1H3;1H4
InChIKeyKWRRNYKZSHGSIL-UHFFFAOYSA-N
XLogP-2.14
TPSA142.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
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;methanol;silane?
The IUPAC name of isocyanic acid;methanol;silane (CID 173152915) is isocyanic acid;methanol;silane.
What is the SMILES notation for isocyanic acid;methanol;silane?
The canonical SMILES for isocyanic acid;methanol;silane is CO.N=C=O.N=C=O.N=C=O.[SiH4].
What is the InChIKey of isocyanic acid;methanol;silane?
The InChIKey is KWRRNYKZSHGSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHNO.CH4O.H4Si/c3*2-1-3;1-2;/h3*2H;2H,1H3;1H4.
What are the key properties of isocyanic acid;methanol;silane?
isocyanic acid;methanol;silane has a molecular weight of 193.23 g/mol, XLogP of -2.14, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;methanol;silane is sourced from PubChem (CID 173152915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).