2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

C20H36O8Si6 — CID 13425887

About 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (PubChem CID 13425887) has the molecular formula C20H36O8Si6 and a molecular weight of 573.02 g/mol. Its IUPAC name is 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.

Molecular Properties

• Compound Name: 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
• PubChem CID: 13425887
• Molecular Formula: C20H36O8Si6
• Molecular Weight: 573.02 g/mol
• Exact Mass: 572.10
• IUPAC Name: 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
• SMILES: C[Si]1(C)O[Si](C)(C)O[Si](O)(c2ccccc2)O[Si](C)(C)O[Si](C)(C)O[Si](O)(c2ccccc2)O1
• InChI: InChI=1S/C20H36O8Si6/c1-29(2)23-30(3,4)26-34(22,20-17-13-10-14-18-20)28-32(7,8)24-31(5,6)27-33(21,25-29)19-15-11-9-12-16-19/h9-18,21-22H,1-8H3
• InChIKey: JLJIRXWQVMLZAI-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.02
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?

The IUPAC name of 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (CID 13425887) is 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.

What is the SMILES notation for 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?

The canonical SMILES for 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is C[Si]1(C)O[Si](C)(C)O[Si](O)(c2ccccc2)O[Si](C)(C)O[Si](C)(C)O[Si](O)(c2ccccc2)O1.

What is the InChIKey of 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?

The InChIKey is JLJIRXWQVMLZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O8Si6/c1-29(2)23-30(3,4)26-34(22,20-17-13-10-14-18-20)28-32(7,8)24-31(5,6)27-33(21,25-29)19-15-11-9-12-16-19/h9-18,21-22H,1-8H3.

What are the key properties of 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?

2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane has a molecular weight of 573.02 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is sourced from PubChem (CID 13425887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).