trimethoxy(3,3,3-triisocyanatopropyl)silane

C9H13N3O6Si — CID 175826425

IUPACtrimethoxy(3,3,3-triisocyanatopropyl)silane
SMILESCO[Si](CCC(N=C=O)(N=C=O)N=C=O)(OC)OC
InChIInChI=1S/C9H13N3O6Si/c1-16-19(17-2,18-3)5-4-9(10-6-13,11-7-14)12-8-15/h4-5H2,1-3H3
InChIKeyJUPUZZVPFCSKPM-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.08
Rot. Bonds9

About trimethoxy(3,3,3-triisocyanatopropyl)silane

trimethoxy(3,3,3-triisocyanatopropyl)silane (PubChem CID 175826425) has the molecular formula C9H13N3O6Si and a molecular weight of 287.30 g/mol. Its IUPAC name is trimethoxy(3,3,3-triisocyanatopropyl)silane.

Molecular Properties

Compound Nametrimethoxy(3,3,3-triisocyanatopropyl)silane
PubChem CID175826425
Molecular FormulaC9H13N3O6Si
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Nametrimethoxy(3,3,3-triisocyanatopropyl)silane
SMILESCO[Si](CCC(N=C=O)(N=C=O)N=C=O)(OC)OC
InChIInChI=1S/C9H13N3O6Si/c1-16-19(17-2,18-3)5-4-9(10-6-13,11-7-14)12-8-15/h4-5H2,1-3H3
InChIKeyJUPUZZVPFCSKPM-UHFFFAOYSA-N
XLogP-0.08
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 trimethoxy(3,3,3-triisocyanatopropyl)silane?
The IUPAC name of trimethoxy(3,3,3-triisocyanatopropyl)silane (CID 175826425) is trimethoxy(3,3,3-triisocyanatopropyl)silane.
What is the SMILES notation for trimethoxy(3,3,3-triisocyanatopropyl)silane?
The canonical SMILES for trimethoxy(3,3,3-triisocyanatopropyl)silane is CO[Si](CCC(N=C=O)(N=C=O)N=C=O)(OC)OC.
What is the InChIKey of trimethoxy(3,3,3-triisocyanatopropyl)silane?
The InChIKey is JUPUZZVPFCSKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O6Si/c1-16-19(17-2,18-3)5-4-9(10-6-13,11-7-14)12-8-15/h4-5H2,1-3H3.
What are the key properties of trimethoxy(3,3,3-triisocyanatopropyl)silane?
trimethoxy(3,3,3-triisocyanatopropyl)silane has a molecular weight of 287.30 g/mol, XLogP of -0.08, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(3,3,3-triisocyanatopropyl)silane is sourced from PubChem (CID 175826425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).