2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane

C18H14N4O4Si2 — CID 71414275

IUPAC2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane
SMILESO=C=N[Si](CC[Si](N=C=O)(N=C=O)c1ccccc1)(N=C=O)c1ccccc1
InChIInChI=1S/C18H14N4O4Si2/c23-13-19-27(20-14-24,17-7-3-1-4-8-17)11-12-28(21-15-25,22-16-26)18-9-5-2-6-10-18/h1-10H,11-12H2
InChIKeyNBBCFDOPIUFSPH-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.03
Rot. Bonds9

About 2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane

2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane (PubChem CID 71414275) has the molecular formula C18H14N4O4Si2 and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane.

Molecular Properties

Compound Name2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane
PubChem CID71414275
Molecular FormulaC18H14N4O4Si2
Molecular Weight406.51 g/mol
Exact Mass406.06
IUPAC Name2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane
SMILESO=C=N[Si](CC[Si](N=C=O)(N=C=O)c1ccccc1)(N=C=O)c1ccccc1
InChIInChI=1S/C18H14N4O4Si2/c23-13-19-27(20-14-24,17-7-3-1-4-8-17)11-12-28(21-15-25,22-16-26)18-9-5-2-6-10-18/h1-10H,11-12H2
InChIKeyNBBCFDOPIUFSPH-UHFFFAOYSA-N
XLogP1.03
TPSA117.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane?
The IUPAC name of 2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane (CID 71414275) is 2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane.
What is the SMILES notation for 2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane?
The canonical SMILES for 2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane is O=C=N[Si](CC[Si](N=C=O)(N=C=O)c1ccccc1)(N=C=O)c1ccccc1.
What is the InChIKey of 2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane?
The InChIKey is NBBCFDOPIUFSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4Si2/c23-13-19-27(20-14-24,17-7-3-1-4-8-17)11-12-28(21-15-25,22-16-26)18-9-5-2-6-10-18/h1-10H,11-12H2.
What are the key properties of 2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane?
2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane has a molecular weight of 406.51 g/mol, XLogP of 1.03, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diisocyanato(phenyl)silyl]ethyl-diisocyanato-phenylsilane is sourced from PubChem (CID 71414275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).