isocyanato-methoxy-dimethylsilane;methane

C5H13NO2Si — CID 89116619

IUPACisocyanato-methoxy-dimethylsilane;methane
SMILESC.CO[Si](C)(C)N=C=O
InChIInChI=1S/C4H9NO2Si.CH4/c1-7-8(2,3)5-4-6;/h1-3H3;1H4
InChIKeyKKJOJRCTTFVHSF-UHFFFAOYSA-N
MW147.25 g/mol
LogP1.31
Rot. Bonds2

About isocyanato-methoxy-dimethylsilane;methane

isocyanato-methoxy-dimethylsilane;methane (PubChem CID 89116619) has the molecular formula C5H13NO2Si and a molecular weight of 147.25 g/mol. Its IUPAC name is isocyanato-methoxy-dimethylsilane;methane.

Molecular Properties

Compound Nameisocyanato-methoxy-dimethylsilane;methane
PubChem CID89116619
Molecular FormulaC5H13NO2Si
Molecular Weight147.25 g/mol
Exact Mass147.07
IUPAC Nameisocyanato-methoxy-dimethylsilane;methane
SMILESC.CO[Si](C)(C)N=C=O
InChIInChI=1S/C4H9NO2Si.CH4/c1-7-8(2,3)5-4-6;/h1-3H3;1H4
InChIKeyKKJOJRCTTFVHSF-UHFFFAOYSA-N
XLogP1.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 51.31
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;methane?
The IUPAC name of isocyanato-methoxy-dimethylsilane;methane (CID 89116619) is isocyanato-methoxy-dimethylsilane;methane.
What is the SMILES notation for isocyanato-methoxy-dimethylsilane;methane?
The canonical SMILES for isocyanato-methoxy-dimethylsilane;methane is C.CO[Si](C)(C)N=C=O.
What is the InChIKey of isocyanato-methoxy-dimethylsilane;methane?
The InChIKey is KKJOJRCTTFVHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2Si.CH4/c1-7-8(2,3)5-4-6;/h1-3H3;1H4.
What are the key properties of isocyanato-methoxy-dimethylsilane;methane?
isocyanato-methoxy-dimethylsilane;methane has a molecular weight of 147.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato-methoxy-dimethylsilane;methane is sourced from PubChem (CID 89116619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).