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

C14H32N2O5Si5 — CID 6429710

IUPAC3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(C)O1
InChIInChI=1S/C14H32N2O5Si5/c1-22(2)17-23(3,4)19-25(7,13-9-11-15)21-26(8,14-10-12-16)20-24(5,6)18-22/h9-10,13-14H2,1-8H3
InChIKeyBDZDWTRJGUGUEB-UHFFFAOYSA-N
MW448.85 g/mol
LogP4.16
Rot. Bonds4

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

3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile (PubChem CID 6429710) has the molecular formula C14H32N2O5Si5 and a molecular weight of 448.85 g/mol. Its IUPAC name is 3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile
PubChem CID6429710
Molecular FormulaC14H32N2O5Si5
Molecular Weight448.85 g/mol
Exact Mass448.12
IUPAC Name3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(C)O1
InChIInChI=1S/C14H32N2O5Si5/c1-22(2)17-23(3,4)19-25(7,13-9-11-15)21-26(8,14-10-12-16)20-24(5,6)18-22/h9-10,13-14H2,1-8H3
InChIKeyBDZDWTRJGUGUEB-UHFFFAOYSA-N
XLogP4.16
TPSA93.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.85
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
The IUPAC name of 3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile (CID 6429710) is 3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
The canonical SMILES for 3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile is C[Si]1(C)O[Si](C)(C)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(C)O1.
What is the InChIKey of 3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
The InChIKey is BDZDWTRJGUGUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O5Si5/c1-22(2)17-23(3,4)19-25(7,13-9-11-15)21-26(8,14-10-12-16)20-24(5,6)18-22/h9-10,13-14H2,1-8H3.
What are the key properties of 3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile has a molecular weight of 448.85 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyanoethyl)-2,4,6,6,8,8,10,10-octamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile is sourced from PubChem (CID 6429710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).