diethyl(dimethoxy)silane;isocyanic acid

C7H17NO3Si — CID 87261482

IUPACdiethyl(dimethoxy)silane;isocyanic acid
SMILESCC[Si](CC)(OC)OC.N=C=O
InChIInChI=1S/C6H16O2Si.CHNO/c1-5-9(6-2,7-3)8-4;2-1-3/h5-6H2,1-4H3;2H
InChIKeyPUJBONYEBNORJD-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.66
Rot. Bonds4

About diethyl(dimethoxy)silane;isocyanic acid

diethyl(dimethoxy)silane;isocyanic acid (PubChem CID 87261482) has the molecular formula C7H17NO3Si and a molecular weight of 191.30 g/mol. Its IUPAC name is diethyl(dimethoxy)silane;isocyanic acid.

Molecular Properties

Compound Namediethyl(dimethoxy)silane;isocyanic acid
PubChem CID87261482
Molecular FormulaC7H17NO3Si
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Namediethyl(dimethoxy)silane;isocyanic acid
SMILESCC[Si](CC)(OC)OC.N=C=O
InChIInChI=1S/C6H16O2Si.CHNO/c1-5-9(6-2,7-3)8-4;2-1-3/h5-6H2,1-4H3;2H
InChIKeyPUJBONYEBNORJD-UHFFFAOYSA-N
XLogP1.66
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
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 diethyl(dimethoxy)silane;isocyanic acid?
The IUPAC name of diethyl(dimethoxy)silane;isocyanic acid (CID 87261482) is diethyl(dimethoxy)silane;isocyanic acid.
What is the SMILES notation for diethyl(dimethoxy)silane;isocyanic acid?
The canonical SMILES for diethyl(dimethoxy)silane;isocyanic acid is CC[Si](CC)(OC)OC.N=C=O.
What is the InChIKey of diethyl(dimethoxy)silane;isocyanic acid?
The InChIKey is PUJBONYEBNORJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O2Si.CHNO/c1-5-9(6-2,7-3)8-4;2-1-3/h5-6H2,1-4H3;2H.
What are the key properties of diethyl(dimethoxy)silane;isocyanic acid?
diethyl(dimethoxy)silane;isocyanic acid has a molecular weight of 191.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(dimethoxy)silane;isocyanic acid is sourced from PubChem (CID 87261482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).