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

C20H35N5O5Si5 — CID 6429736

IUPAC3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile
SMILESC[Si]1(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O1
InChIInChI=1S/C20H35N5O5Si5/c1-31(16-6-11-21)26-32(2,17-7-12-22)28-34(4,19-9-14-24)30-35(5,20-10-15-25)29-33(3,27-31)18-8-13-23/h6-10,16-20H2,1-5H3
InChIKeyRLGPGMXTNSTOGY-UHFFFAOYSA-N
MW565.96 g/mol
LogP5.01
Rot. Bonds10

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

3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile (PubChem CID 6429736) has the molecular formula C20H35N5O5Si5 and a molecular weight of 565.96 g/mol. Its IUPAC name is 3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile
PubChem CID6429736
Molecular FormulaC20H35N5O5Si5
Molecular Weight565.96 g/mol
Exact Mass565.15
IUPAC Name3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile
SMILESC[Si]1(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O[Si](C)(CCC#N)O1
InChIInChI=1S/C20H35N5O5Si5/c1-31(16-6-11-21)26-32(2,17-7-12-22)28-34(4,19-9-14-24)30-35(5,20-10-15-25)29-33(3,27-31)18-8-13-23/h6-10,16-20H2,1-5H3
InChIKeyRLGPGMXTNSTOGY-UHFFFAOYSA-N
XLogP5.01
TPSA165.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.96
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-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-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
The IUPAC name of 3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile (CID 6429736) is 3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile.
What is the SMILES notation for 3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
The canonical SMILES for 3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile is C[Si]1(CCC#N)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-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
The InChIKey is RLGPGMXTNSTOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O5Si5/c1-31(16-6-11-21)26-32(2,17-7-12-22)28-34(4,19-9-14-24)30-35(5,20-10-15-25)29-33(3,27-31)18-8-13-23/h6-10,16-20H2,1-5H3.
What are the key properties of 3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile?
3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile has a molecular weight of 565.96 g/mol, XLogP of 5.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6,8,10-tetrakis(2-cyanoethyl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propanenitrile is sourced from PubChem (CID 6429736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).