3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile

C18H34N4O5Si5 — CID 6429733

IUPAC3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile
SMILESC[Si]1(C)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O1
InChIInChI=1S/C18H34N4O5Si5/c1-28(2)23-29(3,15-7-11-19)25-31(5,17-9-13-21)27-32(6,18-10-14-22)26-30(4,24-28)16-8-12-20/h7-10,15-18H2,1-6H3
InChIKeyWUVKIYJBOZOWQB-UHFFFAOYSA-N
MW526.92 g/mol
LogP4.73
Rot. Bonds8

About 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile

3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile (PubChem CID 6429733) has the molecular formula C18H34N4O5Si5 and a molecular weight of 526.92 g/mol. Its IUPAC name is 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile
PubChem CID6429733
Molecular FormulaC18H34N4O5Si5
Molecular Weight526.92 g/mol
Exact Mass526.14
IUPAC Name3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile
SMILESC[Si]1(C)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O1
InChIInChI=1S/C18H34N4O5Si5/c1-28(2)23-29(3,15-7-11-19)25-31(5,17-9-13-21)27-32(6,18-10-14-22)26-30(4,24-28)16-8-12-20/h7-10,15-18H2,1-6H3
InChIKeyWUVKIYJBOZOWQB-UHFFFAOYSA-N
XLogP4.73
TPSA141.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.92
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
The IUPAC name of 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile (CID 6429733) is 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile.
What is the SMILES notation for 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
The canonical SMILES for 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile is C[Si]1(C)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O1.
What is the InChIKey of 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
The InChIKey is WUVKIYJBOZOWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O5Si5/c1-28(2)23-29(3,15-7-11-19)25-31(5,17-9-13-21)27-32(6,18-10-14-22)26-30(4,24-28)16-8-12-20/h7-10,15-18H2,1-6H3.
What are the key properties of 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile has a molecular weight of 526.92 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6,8-tris(2-cyanoethyl)-2,4,6,8,10,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile is sourced from PubChem (CID 6429733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).