isocyanato-methoxy-dimethylsilane

C4H9NO2Si — CID 89116620

IUPACisocyanato-methoxy-dimethylsilane
SMILESCO[Si](C)(C)N=C=O
InChIInChI=1S/C4H9NO2Si/c1-7-8(2,3)5-4-6/h1-3H3
InChIKeyNUZGYPAFPMXAKT-UHFFFAOYSA-N
MW131.21 g/mol
LogP0.67
Rot. Bonds2

About isocyanato-methoxy-dimethylsilane

isocyanato-methoxy-dimethylsilane (PubChem CID 89116620) has the molecular formula C4H9NO2Si and a molecular weight of 131.21 g/mol. Its IUPAC name is isocyanato-methoxy-dimethylsilane.

Molecular Properties

Compound Nameisocyanato-methoxy-dimethylsilane
PubChem CID89116620
Molecular FormulaC4H9NO2Si
Molecular Weight131.21 g/mol
Exact Mass131.04
IUPAC Nameisocyanato-methoxy-dimethylsilane
SMILESCO[Si](C)(C)N=C=O
InChIInChI=1S/C4H9NO2Si/c1-7-8(2,3)5-4-6/h1-3H3
InChIKeyNUZGYPAFPMXAKT-UHFFFAOYSA-N
XLogP0.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 isocyanato-methoxy-dimethylsilane?
The IUPAC name of isocyanato-methoxy-dimethylsilane (CID 89116620) is isocyanato-methoxy-dimethylsilane.
What is the SMILES notation for isocyanato-methoxy-dimethylsilane?
The canonical SMILES for isocyanato-methoxy-dimethylsilane is CO[Si](C)(C)N=C=O.
What is the InChIKey of isocyanato-methoxy-dimethylsilane?
The InChIKey is NUZGYPAFPMXAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2Si/c1-7-8(2,3)5-4-6/h1-3H3.
What are the key properties of isocyanato-methoxy-dimethylsilane?
isocyanato-methoxy-dimethylsilane has a molecular weight of 131.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato-methoxy-dimethylsilane is sourced from PubChem (CID 89116620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).