isocyanato-tris(2-isocyanatoethoxy)silane

C10H12N4O7Si — CID 154104954

IUPACisocyanato-tris(2-isocyanatoethoxy)silane
SMILESO=C=NCCO[Si](N=C=O)(OCCN=C=O)OCCN=C=O
InChIInChI=1S/C10H12N4O7Si/c15-7-11-1-4-19-22(14-10-18,20-5-2-12-8-16)21-6-3-13-9-17/h1-6H2
InChIKeyQSJOQZLCINOMKF-UHFFFAOYSA-N
MW328.31 g/mol
LogP-1.18
Rot. Bonds13

About isocyanato-tris(2-isocyanatoethoxy)silane

isocyanato-tris(2-isocyanatoethoxy)silane (PubChem CID 154104954) has the molecular formula C10H12N4O7Si and a molecular weight of 328.31 g/mol. Its IUPAC name is isocyanato-tris(2-isocyanatoethoxy)silane.

Molecular Properties

Compound Nameisocyanato-tris(2-isocyanatoethoxy)silane
PubChem CID154104954
Molecular FormulaC10H12N4O7Si
Molecular Weight328.31 g/mol
Exact Mass328.05
IUPAC Nameisocyanato-tris(2-isocyanatoethoxy)silane
SMILESO=C=NCCO[Si](N=C=O)(OCCN=C=O)OCCN=C=O
InChIInChI=1S/C10H12N4O7Si/c15-7-11-1-4-19-22(14-10-18,20-5-2-12-8-16)21-6-3-13-9-17/h1-6H2
InChIKeyQSJOQZLCINOMKF-UHFFFAOYSA-N
XLogP-1.18
TPSA145.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.31
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 isocyanato-tris(2-isocyanatoethoxy)silane?
The IUPAC name of isocyanato-tris(2-isocyanatoethoxy)silane (CID 154104954) is isocyanato-tris(2-isocyanatoethoxy)silane.
What is the SMILES notation for isocyanato-tris(2-isocyanatoethoxy)silane?
The canonical SMILES for isocyanato-tris(2-isocyanatoethoxy)silane is O=C=NCCO[Si](N=C=O)(OCCN=C=O)OCCN=C=O.
What is the InChIKey of isocyanato-tris(2-isocyanatoethoxy)silane?
The InChIKey is QSJOQZLCINOMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O7Si/c15-7-11-1-4-19-22(14-10-18,20-5-2-12-8-16)21-6-3-13-9-17/h1-6H2.
What are the key properties of isocyanato-tris(2-isocyanatoethoxy)silane?
isocyanato-tris(2-isocyanatoethoxy)silane has a molecular weight of 328.31 g/mol, XLogP of -1.18, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato-tris(2-isocyanatoethoxy)silane is sourced from PubChem (CID 154104954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).