4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile

C36H80N2O8Si10 — CID 153321812

About 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile

4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile (PubChem CID 153321812) has the molecular formula C36H80N2O8Si10 and a molecular weight of 949.90 g/mol. Its IUPAC name is 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile.

Molecular Properties

• Compound Name: 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile
• PubChem CID: 153321812
• Molecular Formula: C36H80N2O8Si10
• Molecular Weight: 949.90 g/mol
• Exact Mass: 948.36
• IUPAC Name: 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile
• SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc1cc(C#N)c(C#N)cc1CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C36H80N2O8Si10/c1-47(2,3)39-51(11,12)43-55(19,20)45-53(15,16)41-49(7,8)27-23-25-33-29-35(31-37)36(32-38)30-34(33)26-24-28-50(9,10)42-54(17,18)46-56(21,22)44-52(13,14)40-48(4,5)6/h29-30H,23-28H2,1-22H3
• InChIKey: SSIRPNVRUIAQKV-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 121.42 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.90
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile?

The IUPAC name of 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile (CID 153321812) is 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile.

What is the SMILES notation for 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile?

The canonical SMILES for 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile is C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc1cc(C#N)c(C#N)cc1CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C.

What is the InChIKey of 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile?

The InChIKey is SSIRPNVRUIAQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H80N2O8Si10/c1-47(2,3)39-51(11,12)43-55(19,20)45-53(15,16)41-49(7,8)27-23-25-33-29-35(31-37)36(32-38)30-34(33)26-24-28-50(9,10)42-54(17,18)46-56(21,22)44-52(13,14)40-48(4,5)6/h29-30H,23-28H2,1-22H3.

What are the key properties of 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile?

4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile has a molecular weight of 949.90 g/mol, XLogP of 11.72, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 153321812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).