ethoxy-diethyl-(2-isocyanatoethyl)silane

C9H19NO2Si — CID 151283150

IUPACethoxy-diethyl-(2-isocyanatoethyl)silane
SMILESCCO[Si](CC)(CC)CCN=C=O
InChIInChI=1S/C9H19NO2Si/c1-4-12-13(5-2,6-3)8-7-10-9-11/h4-8H2,1-3H3
InChIKeyNYVFEFDXUASVAS-UHFFFAOYSA-N
MW201.34 g/mol
LogP2.34
Rot. Bonds7

About ethoxy-diethyl-(2-isocyanatoethyl)silane

ethoxy-diethyl-(2-isocyanatoethyl)silane (PubChem CID 151283150) has the molecular formula C9H19NO2Si and a molecular weight of 201.34 g/mol. Its IUPAC name is ethoxy-diethyl-(2-isocyanatoethyl)silane.

Molecular Properties

Compound Nameethoxy-diethyl-(2-isocyanatoethyl)silane
PubChem CID151283150
Molecular FormulaC9H19NO2Si
Molecular Weight201.34 g/mol
Exact Mass201.12
IUPAC Nameethoxy-diethyl-(2-isocyanatoethyl)silane
SMILESCCO[Si](CC)(CC)CCN=C=O
InChIInChI=1S/C9H19NO2Si/c1-4-12-13(5-2,6-3)8-7-10-9-11/h4-8H2,1-3H3
InChIKeyNYVFEFDXUASVAS-UHFFFAOYSA-N
XLogP2.34
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethoxy-(2-isocyanatoethyl)-dimethoxysilane
CID 87149340
triethyl(2-isocyanatoethyl)silane
CID 87128357
3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine
CID 18620385
ethyl-(2-isocyanatoethyl)-dipropoxysilane
CID 142701820
triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947
triethoxy(33-isocyanatotritriacontyl)silane
CID 87684827
acetonitrile;triethoxy(3-isocyanatopropyl)silane
CID 158725312
[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate
CID 87101175
2-[ethoxy(diethyl)silyl]ethanamine
CID 87732470
hydrazine;2-isocyanatoethyl(trimethoxy)silane
CID 91003499
2-isocyanatoethyl-dimethoxy-methylsilane
CID 18949278

Frequently Asked Questions

What is the IUPAC name of ethoxy-diethyl-(2-isocyanatoethyl)silane?
The IUPAC name of ethoxy-diethyl-(2-isocyanatoethyl)silane (CID 151283150) is ethoxy-diethyl-(2-isocyanatoethyl)silane.
What is the SMILES notation for ethoxy-diethyl-(2-isocyanatoethyl)silane?
The canonical SMILES for ethoxy-diethyl-(2-isocyanatoethyl)silane is CCO[Si](CC)(CC)CCN=C=O.
What is the InChIKey of ethoxy-diethyl-(2-isocyanatoethyl)silane?
The InChIKey is NYVFEFDXUASVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2Si/c1-4-12-13(5-2,6-3)8-7-10-9-11/h4-8H2,1-3H3.
What are the key properties of ethoxy-diethyl-(2-isocyanatoethyl)silane?
ethoxy-diethyl-(2-isocyanatoethyl)silane has a molecular weight of 201.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-diethyl-(2-isocyanatoethyl)silane is sourced from PubChem (CID 151283150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).