diethoxy(methyl)silane;isocyanic acid

C6H15NO3Si — CID 172694578

IUPACdiethoxy(methyl)silane;isocyanic acid
SMILESCCO[SiH](C)OCC.N=C=O
InChIInChI=1S/C5H14O2Si.CHNO/c1-4-6-8(3)7-5-2;2-1-3/h8H,4-5H2,1-3H3;2H
InChIKeyCDNMPXXVVMDCNJ-UHFFFAOYSA-N
MW177.28 g/mol
LogP0.81
Rot. Bonds4

About diethoxy(methyl)silane;isocyanic acid

diethoxy(methyl)silane;isocyanic acid (PubChem CID 172694578) has the molecular formula C6H15NO3Si and a molecular weight of 177.28 g/mol. Its IUPAC name is diethoxy(methyl)silane;isocyanic acid.

Molecular Properties

Compound Namediethoxy(methyl)silane;isocyanic acid
PubChem CID172694578
Molecular FormulaC6H15NO3Si
Molecular Weight177.28 g/mol
Exact Mass177.08
IUPAC Namediethoxy(methyl)silane;isocyanic acid
SMILESCCO[SiH](C)OCC.N=C=O
InChIInChI=1S/C5H14O2Si.CHNO/c1-4-6-8(3)7-5-2;2-1-3/h8H,4-5H2,1-3H3;2H
InChIKeyCDNMPXXVVMDCNJ-UHFFFAOYSA-N
XLogP0.81
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.28
LogP ≤ 50.81
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 diethoxy(methyl)silane;isocyanic acid?
The IUPAC name of diethoxy(methyl)silane;isocyanic acid (CID 172694578) is diethoxy(methyl)silane;isocyanic acid.
What is the SMILES notation for diethoxy(methyl)silane;isocyanic acid?
The canonical SMILES for diethoxy(methyl)silane;isocyanic acid is CCO[SiH](C)OCC.N=C=O.
What is the InChIKey of diethoxy(methyl)silane;isocyanic acid?
The InChIKey is CDNMPXXVVMDCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O2Si.CHNO/c1-4-6-8(3)7-5-2;2-1-3/h8H,4-5H2,1-3H3;2H.
What are the key properties of diethoxy(methyl)silane;isocyanic acid?
diethoxy(methyl)silane;isocyanic acid has a molecular weight of 177.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(methyl)silane;isocyanic acid is sourced from PubChem (CID 172694578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).