diethyl(dimethyl)silane;isocyanic acid

C7H17NOSi — CID 174661857

IUPACdiethyl(dimethyl)silane;isocyanic acid
SMILESCC[Si](C)(C)CC.N=C=O
InChIInChI=1S/C6H16Si.CHNO/c1-5-7(3,4)6-2;2-1-3/h5-6H2,1-4H3;2H
InChIKeyJPBYBROWZIIJJU-UHFFFAOYSA-N
MW159.31 g/mol
LogP2.64
Rot. Bonds2

About diethyl(dimethyl)silane;isocyanic acid

diethyl(dimethyl)silane;isocyanic acid (PubChem CID 174661857) has the molecular formula C7H17NOSi and a molecular weight of 159.31 g/mol. Its IUPAC name is diethyl(dimethyl)silane;isocyanic acid.

Molecular Properties

Compound Namediethyl(dimethyl)silane;isocyanic acid
PubChem CID174661857
Molecular FormulaC7H17NOSi
Molecular Weight159.31 g/mol
Exact Mass159.11
IUPAC Namediethyl(dimethyl)silane;isocyanic acid
SMILESCC[Si](C)(C)CC.N=C=O
InChIInChI=1S/C6H16Si.CHNO/c1-5-7(3,4)6-2;2-1-3/h5-6H2,1-4H3;2H
InChIKeyJPBYBROWZIIJJU-UHFFFAOYSA-N
XLogP2.64
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.31
LogP ≤ 52.64
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'}

Analyze diethyl(dimethyl)silane;isocyanic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl(dimethyl)silane;isocyanic acid?
The IUPAC name of diethyl(dimethyl)silane;isocyanic acid (CID 174661857) is diethyl(dimethyl)silane;isocyanic acid.
What is the SMILES notation for diethyl(dimethyl)silane;isocyanic acid?
The canonical SMILES for diethyl(dimethyl)silane;isocyanic acid is CC[Si](C)(C)CC.N=C=O.
What is the InChIKey of diethyl(dimethyl)silane;isocyanic acid?
The InChIKey is JPBYBROWZIIJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16Si.CHNO/c1-5-7(3,4)6-2;2-1-3/h5-6H2,1-4H3;2H.
What are the key properties of diethyl(dimethyl)silane;isocyanic acid?
diethyl(dimethyl)silane;isocyanic acid has a molecular weight of 159.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(dimethyl)silane;isocyanic acid is sourced from PubChem (CID 174661857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).