diethoxy(ethyl)silane;isocyanic acid

C7H17NO3Si — CID 172694032

IUPACdiethoxy(ethyl)silane;isocyanic acid
SMILESCCO[SiH](CC)OCC.N=C=O
InChIInChI=1S/C6H16O2Si.CHNO/c1-4-7-9(6-3)8-5-2;2-1-3/h9H,4-6H2,1-3H3;2H
InChIKeyCBPSBFUCGNJFNW-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.20
Rot. Bonds5

About diethoxy(ethyl)silane;isocyanic acid

diethoxy(ethyl)silane;isocyanic acid (PubChem CID 172694032) has the molecular formula C7H17NO3Si and a molecular weight of 191.30 g/mol. Its IUPAC name is diethoxy(ethyl)silane;isocyanic acid.

Molecular Properties

Compound Namediethoxy(ethyl)silane;isocyanic acid
PubChem CID172694032
Molecular FormulaC7H17NO3Si
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Namediethoxy(ethyl)silane;isocyanic acid
SMILESCCO[SiH](CC)OCC.N=C=O
InChIInChI=1S/C6H16O2Si.CHNO/c1-4-7-9(6-3)8-5-2;2-1-3/h9H,4-6H2,1-3H3;2H
InChIKeyCBPSBFUCGNJFNW-UHFFFAOYSA-N
XLogP1.20
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.20
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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Related Compounds

diethoxy(ethyl)silane;hydrochloride
CID 172697109
boric acid;isocyanic acid;triethoxysilane
CID 159384027
1-chloropropane;diethoxy(methyl)silane;isocyanic acid
CID 174854154
isocyanic acid;methane;propane
CID 174983987
isocyanic acid;pentyl(dipropoxy)silane
CID 172700048
butane;ethane;isocyanic acid
CID 175178457
ethoxy(ethyl)silane;isocyanic acid
CID 172752724
ethoxy(trihydroxy)silane;isocyanic acid
CID 174903172
ethoxy-ethyl-(2-phenylethoxy)silane
CID 154001290
9-diethoxysilylnonyl(diethoxy)silane
CID 123249376
ethanol;isocyanic acid;silane
CID 173153044
cyclohexane;isocyanic acid;propane
CID 173088956

Frequently Asked Questions

What is the IUPAC name of diethoxy(ethyl)silane;isocyanic acid?
The IUPAC name of diethoxy(ethyl)silane;isocyanic acid (CID 172694032) is diethoxy(ethyl)silane;isocyanic acid.
What is the SMILES notation for diethoxy(ethyl)silane;isocyanic acid?
The canonical SMILES for diethoxy(ethyl)silane;isocyanic acid is CCO[SiH](CC)OCC.N=C=O.
What is the InChIKey of diethoxy(ethyl)silane;isocyanic acid?
The InChIKey is CBPSBFUCGNJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O2Si.CHNO/c1-4-7-9(6-3)8-5-2;2-1-3/h9H,4-6H2,1-3H3;2H.
What are the key properties of diethoxy(ethyl)silane;isocyanic acid?
diethoxy(ethyl)silane;isocyanic acid has a molecular weight of 191.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(ethyl)silane;isocyanic acid is sourced from PubChem (CID 172694032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).