1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane

C32H72O12Si8 — CID 4524693

About 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane

1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane (PubChem CID 4524693) has the molecular formula C32H72O12Si8 and a molecular weight of 873.60 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane.

Molecular Properties

• Compound Name: 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
• PubChem CID: 4524693
• Molecular Formula: C32H72O12Si8
• Molecular Weight: 873.60 g/mol
• Exact Mass: 872.32
• IUPAC Name: 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
• SMILES: CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1
• InChI: InChI=1S/C32H72O12Si8/c1-25(2)17-45-33-46(18-26(3)4)36-49(21-29(9)10)38-47(34-45,19-27(5)6)40-51(23-31(13)14)41-48(35-45,20-28(7)8)39-50(37-46,22-30(11)12)43-52(42-49,44-51)24-32(15)16/h25-32H,17-24H2,1-16H3
• InChIKey: GPJIUZGXKCEIEO-UHFFFAOYSA-N
• XLogP: 9.01
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	873.60
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?

The IUPAC name of 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane (CID 4524693) is 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane.

What is the SMILES notation for 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?

The canonical SMILES for 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane is CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1.

What is the InChIKey of 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?

The InChIKey is GPJIUZGXKCEIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H72O12Si8/c1-25(2)17-45-33-46(18-26(3)4)36-49(21-29(9)10)38-47(34-45,19-27(5)6)40-51(23-31(13)14)41-48(35-45,20-28(7)8)39-50(37-46,22-30(11)12)43-52(42-49,44-51)24-32(15)16/h25-32H,17-24H2,1-16H3.

What are the key properties of 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?

1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane has a molecular weight of 873.60 g/mol, XLogP of 9.01, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane is sourced from PubChem (CID 4524693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).