ethoxy(triisocyanato)silane

C5H5N3O4Si — CID 15267710

IUPACethoxy(triisocyanato)silane
SMILESCCO[Si](N=C=O)(N=C=O)N=C=O
InChIInChI=1S/C5H5N3O4Si/c1-2-12-13(6-3-9,7-4-10)8-5-11/h2H2,1H3
InChIKeyUBPHBNXPCSMMPM-UHFFFAOYSA-N
MW199.20 g/mol
LogP-0.53
Rot. Bonds5

About ethoxy(triisocyanato)silane

ethoxy(triisocyanato)silane (PubChem CID 15267710) has the molecular formula C5H5N3O4Si and a molecular weight of 199.20 g/mol. Its IUPAC name is ethoxy(triisocyanato)silane.

Molecular Properties

Compound Nameethoxy(triisocyanato)silane
PubChem CID15267710
Molecular FormulaC5H5N3O4Si
Molecular Weight199.20 g/mol
Exact Mass199.00
IUPAC Nameethoxy(triisocyanato)silane
SMILESCCO[Si](N=C=O)(N=C=O)N=C=O
InChIInChI=1S/C5H5N3O4Si/c1-2-12-13(6-3-9,7-4-10)8-5-11/h2H2,1H3
InChIKeyUBPHBNXPCSMMPM-UHFFFAOYSA-N
XLogP-0.53
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

triisocyanato(octadecoxy)silane
CID 71324874
triisocyanato(propan-2-yloxy)silane
CID 15267713
ethoxy-diethyl-(2-isocyanatoethyl)silane
CID 151283150
ethoxy-(2-isocyanatoethyl)-dimethoxysilane
CID 87149340
ethoxy(trihydroxy)silane;isocyanic acid
CID 174903172
triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947
triethoxy(33-isocyanatotritriacontyl)silane
CID 87684827
CID 24897072
CID 24897072
3-chloropropyl(triethoxy)silane;isocyanatosilane
CID 175325315
triethoxy(1-isocyanatohexan-3-yl)silane
CID 155699226
acetonitrile;triethoxy(3-isocyanatopropyl)silane
CID 158725312

Frequently Asked Questions

What is the IUPAC name of ethoxy(triisocyanato)silane?
The IUPAC name of ethoxy(triisocyanato)silane (CID 15267710) is ethoxy(triisocyanato)silane.
What is the SMILES notation for ethoxy(triisocyanato)silane?
The canonical SMILES for ethoxy(triisocyanato)silane is CCO[Si](N=C=O)(N=C=O)N=C=O.
What is the InChIKey of ethoxy(triisocyanato)silane?
The InChIKey is UBPHBNXPCSMMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O4Si/c1-2-12-13(6-3-9,7-4-10)8-5-11/h2H2,1H3.
What are the key properties of ethoxy(triisocyanato)silane?
ethoxy(triisocyanato)silane has a molecular weight of 199.20 g/mol, XLogP of -0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(triisocyanato)silane is sourced from PubChem (CID 15267710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).