isocyanic acid;tetramethylsilane

C5H13NOSi — CID 172764725

IUPACisocyanic acid;tetramethylsilane
SMILESC[Si](C)(C)C.N=C=O
InChIInChI=1S/C4H12Si.CHNO/c1-5(2,3)4;2-1-3/h1-4H3;2H
InChIKeyMDSMBENNRDMWSB-UHFFFAOYSA-N
MW131.25 g/mol
LogP1.86
Rot. Bonds

About isocyanic acid;tetramethylsilane

isocyanic acid;tetramethylsilane (PubChem CID 172764725) has the molecular formula C5H13NOSi and a molecular weight of 131.25 g/mol. Its IUPAC name is isocyanic acid;tetramethylsilane.

Molecular Properties

Compound Nameisocyanic acid;tetramethylsilane
PubChem CID172764725
Molecular FormulaC5H13NOSi
Molecular Weight131.25 g/mol
Exact Mass131.08
IUPAC Nameisocyanic acid;tetramethylsilane
SMILESC[Si](C)(C)C.N=C=O
InChIInChI=1S/C4H12Si.CHNO/c1-5(2,3)4;2-1-3/h1-4H3;2H
InChIKeyMDSMBENNRDMWSB-UHFFFAOYSA-N
XLogP1.86
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.25
LogP ≤ 51.86
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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Related Compounds

Trimethylsilyl isocyanate
CID 70696
Trimethylsilylcarbonsaureamid
CID 23035967
CID 17874555
CID 17874555
[Dimethyl(trimethylsilylmethyl)silyl]formamide
CID 23130196
CID 87192177
CID 87192177
Dimethoxy(dimethyl)silane;isocyanic acid
CID 87261467
CID 87330958
CID 87330958
N-dimethylbismuthanyl-1-trimethylsilylformamide
CID 88194409
CID 88793371
CID 88793371
Isocyanic acid;trimethylsilane
CID 158506023
Isocyanic acid;tetramethylsilane
CID 172795388
Isocyanic acid;methoxy(trimethyl)silane
CID 172832895

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;tetramethylsilane?
The IUPAC name of isocyanic acid;tetramethylsilane (CID 172764725) is isocyanic acid;tetramethylsilane.
What is the SMILES notation for isocyanic acid;tetramethylsilane?
The canonical SMILES for isocyanic acid;tetramethylsilane is C[Si](C)(C)C.N=C=O.
What is the InChIKey of isocyanic acid;tetramethylsilane?
The InChIKey is MDSMBENNRDMWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12Si.CHNO/c1-5(2,3)4;2-1-3/h1-4H3;2H.
What are the key properties of isocyanic acid;tetramethylsilane?
isocyanic acid;tetramethylsilane has a molecular weight of 131.25 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;tetramethylsilane is sourced from PubChem (CID 172764725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).