isocyanatomethyl(triethoxymethyl)silane

C9H19NO4Si — CID 123310718

IUPACisocyanatomethyl(triethoxymethyl)silane
SMILESCCOC(OCC)(OCC)[SiH2]CN=C=O
InChIInChI=1S/C9H19NO4Si/c1-4-12-9(13-5-2,14-6-3)15-8-10-7-11/h4-6,8,15H2,1-3H3
InChIKeyNPEQYMDKYKCPMK-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.17
Rot. Bonds9

About isocyanatomethyl(triethoxymethyl)silane

isocyanatomethyl(triethoxymethyl)silane (PubChem CID 123310718) has the molecular formula C9H19NO4Si and a molecular weight of 233.34 g/mol. Its IUPAC name is isocyanatomethyl(triethoxymethyl)silane.

Molecular Properties

Compound Nameisocyanatomethyl(triethoxymethyl)silane
PubChem CID123310718
Molecular FormulaC9H19NO4Si
Molecular Weight233.34 g/mol
Exact Mass233.11
IUPAC Nameisocyanatomethyl(triethoxymethyl)silane
SMILESCCOC(OCC)(OCC)[SiH2]CN=C=O
InChIInChI=1S/C9H19NO4Si/c1-4-12-9(13-5-2,14-6-3)15-8-10-7-11/h4-6,8,15H2,1-3H3
InChIKeyNPEQYMDKYKCPMK-UHFFFAOYSA-N
XLogP0.17
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

diethoxymethyl(isocyanatomethyl)silane;silane
CID 174823634
isocyanatomethyl(propan-2-yloxy)silane
CID 174176346
isocyanatoethane;silane
CID 174792418
1-diethoxyphosphoryl-2-isocyanatoethane
CID 86222303
ethoxy-diethyl-(2-isocyanatoethyl)silane
CID 151283150
1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane
CID 102218481
2,2-dimethoxyethoxy(isocyanatomethyl)silane
CID 154365360
diethoxymethyl(2-isocyanatoethyl)silane
CID 154128552
ethyl 2-ethyl-2-(isocyanatomethyl)butanoate
CID 22163522
isocyanatoethane;isocyanic acid
CID 87805421
isocyanatomethyl(dimethyl)silane
CID 123789634
ethyl(isocyanato)silane
CID 150465617

Frequently Asked Questions

What is the IUPAC name of isocyanatomethyl(triethoxymethyl)silane?
The IUPAC name of isocyanatomethyl(triethoxymethyl)silane (CID 123310718) is isocyanatomethyl(triethoxymethyl)silane.
What is the SMILES notation for isocyanatomethyl(triethoxymethyl)silane?
The canonical SMILES for isocyanatomethyl(triethoxymethyl)silane is CCOC(OCC)(OCC)[SiH2]CN=C=O.
What is the InChIKey of isocyanatomethyl(triethoxymethyl)silane?
The InChIKey is NPEQYMDKYKCPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4Si/c1-4-12-9(13-5-2,14-6-3)15-8-10-7-11/h4-6,8,15H2,1-3H3.
What are the key properties of isocyanatomethyl(triethoxymethyl)silane?
isocyanatomethyl(triethoxymethyl)silane has a molecular weight of 233.34 g/mol, XLogP of 0.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanatomethyl(triethoxymethyl)silane is sourced from PubChem (CID 123310718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).