ethyl-dimethoxy-methylsilane;isocyanic acid

C6H15NO3Si — CID 172696442

IUPACethyl-dimethoxy-methylsilane;isocyanic acid
SMILESCC[Si](C)(OC)OC.N=C=O
InChIInChI=1S/C5H14O2Si.CHNO/c1-5-8(4,6-2)7-3;2-1-3/h5H2,1-4H3;2H
InChIKeyCJPKZWQPPJSQAG-UHFFFAOYSA-N
MW177.28 g/mol
LogP1.27
Rot. Bonds3

About ethyl-dimethoxy-methylsilane;isocyanic acid

ethyl-dimethoxy-methylsilane;isocyanic acid (PubChem CID 172696442) has the molecular formula C6H15NO3Si and a molecular weight of 177.28 g/mol. Its IUPAC name is ethyl-dimethoxy-methylsilane;isocyanic acid.

Molecular Properties

Compound Nameethyl-dimethoxy-methylsilane;isocyanic acid
PubChem CID172696442
Molecular FormulaC6H15NO3Si
Molecular Weight177.28 g/mol
Exact Mass177.08
IUPAC Nameethyl-dimethoxy-methylsilane;isocyanic acid
SMILESCC[Si](C)(OC)OC.N=C=O
InChIInChI=1S/C5H14O2Si.CHNO/c1-5-8(4,6-2)7-3;2-1-3/h5H2,1-4H3;2H
InChIKeyCJPKZWQPPJSQAG-UHFFFAOYSA-N
XLogP1.27
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.28
LogP ≤ 51.27
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 ethyl-dimethoxy-methylsilane;isocyanic acid?
The IUPAC name of ethyl-dimethoxy-methylsilane;isocyanic acid (CID 172696442) is ethyl-dimethoxy-methylsilane;isocyanic acid.
What is the SMILES notation for ethyl-dimethoxy-methylsilane;isocyanic acid?
The canonical SMILES for ethyl-dimethoxy-methylsilane;isocyanic acid is CC[Si](C)(OC)OC.N=C=O.
What is the InChIKey of ethyl-dimethoxy-methylsilane;isocyanic acid?
The InChIKey is CJPKZWQPPJSQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O2Si.CHNO/c1-5-8(4,6-2)7-3;2-1-3/h5H2,1-4H3;2H.
What are the key properties of ethyl-dimethoxy-methylsilane;isocyanic acid?
ethyl-dimethoxy-methylsilane;isocyanic acid has a molecular weight of 177.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethoxy-methylsilane;isocyanic acid is sourced from PubChem (CID 172696442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).