isocyanic acid;tetramethylsilane

C6H14N2O2Si — CID 172795388

IUPACisocyanic acid;tetramethylsilane
SMILESC[Si](C)(C)C.N=C=O.N=C=O
InChIInChI=1S/C4H12Si.2CHNO/c1-5(2,3)4;2*2-1-3/h1-4H3;2*2H
InChIKeyQDCMJGKQHFIJGT-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.76
Rot. Bonds

About isocyanic acid;tetramethylsilane

isocyanic acid;tetramethylsilane (PubChem CID 172795388) has the molecular formula C6H14N2O2Si and a molecular weight of 174.28 g/mol. Its IUPAC name is isocyanic acid;tetramethylsilane.

Molecular Properties

Compound Nameisocyanic acid;tetramethylsilane
PubChem CID172795388
Molecular FormulaC6H14N2O2Si
Molecular Weight174.28 g/mol
Exact Mass174.08
IUPAC Nameisocyanic acid;tetramethylsilane
SMILESC[Si](C)(C)C.N=C=O.N=C=O
InChIInChI=1S/C4H12Si.2CHNO/c1-5(2,3)4;2*2-1-3/h1-4H3;2*2H
InChIKeyQDCMJGKQHFIJGT-UHFFFAOYSA-N
XLogP1.76
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.76
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 isocyanic acid;tetramethylsilane?
The IUPAC name of isocyanic acid;tetramethylsilane (CID 172795388) 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.N=C=O.
What is the InChIKey of isocyanic acid;tetramethylsilane?
The InChIKey is QDCMJGKQHFIJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12Si.2CHNO/c1-5(2,3)4;2*2-1-3/h1-4H3;2*2H.
What are the key properties of isocyanic acid;tetramethylsilane?
isocyanic acid;tetramethylsilane has a molecular weight of 174.28 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;tetramethylsilane is sourced from PubChem (CID 172795388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).