isocyanic acid;trimethylsilane

C4H11NOSi — CID 158506023

IUPACisocyanic acid;trimethylsilane
SMILESC[SiH](C)C.N=C=O
InChIInChI=1S/C3H10Si.CHNO/c1-4(2)3;2-1-3/h4H,1-3H3;2H
InChIKeyHKLZIJGDTNSHBI-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.00
Rot. Bonds

About isocyanic acid;trimethylsilane

isocyanic acid;trimethylsilane (PubChem CID 158506023) has the molecular formula C4H11NOSi and a molecular weight of 117.22 g/mol. Its IUPAC name is isocyanic acid;trimethylsilane.

Molecular Properties

Compound Nameisocyanic acid;trimethylsilane
PubChem CID158506023
Molecular FormulaC4H11NOSi
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Nameisocyanic acid;trimethylsilane
SMILESC[SiH](C)C.N=C=O
InChIInChI=1S/C3H10Si.CHNO/c1-4(2)3;2-1-3/h4H,1-3H3;2H
InChIKeyHKLZIJGDTNSHBI-UHFFFAOYSA-N
XLogP1.00
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;trimethylsilane?
The IUPAC name of isocyanic acid;trimethylsilane (CID 158506023) is isocyanic acid;trimethylsilane.
What is the SMILES notation for isocyanic acid;trimethylsilane?
The canonical SMILES for isocyanic acid;trimethylsilane is C[SiH](C)C.N=C=O.
What is the InChIKey of isocyanic acid;trimethylsilane?
The InChIKey is HKLZIJGDTNSHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10Si.CHNO/c1-4(2)3;2-1-3/h4H,1-3H3;2H.
What are the key properties of isocyanic acid;trimethylsilane?
isocyanic acid;trimethylsilane has a molecular weight of 117.22 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;trimethylsilane is sourced from PubChem (CID 158506023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).