5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane

C30H52O8Si6 — CID 102351920

About 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane

5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane (PubChem CID 102351920) has the molecular formula C30H52O8Si6 and a molecular weight of 709.25 g/mol. Its IUPAC name is 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane.

Molecular Properties

• Compound Name: 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane
• PubChem CID: 102351920
• Molecular Formula: C30H52O8Si6
• Molecular Weight: 709.25 g/mol
• Exact Mass: 708.23
• IUPAC Name: 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane
• SMILES: CC(C)[Si]12O[Si](C(C)C)(O[Si]3(C(C)C)O[Si](C(C)C)(O1)O[Si](c1ccccc1)(C(C)C)O3)O[Si](c1ccccc1)(C(C)C)O2
• InChI: InChI=1S/C30H52O8Si6/c1-23(2)39(29-19-15-13-16-20-29)31-41(25(5)6)35-42(32-39,26(7)8)38-44(28(11)12)34-40(24(3)4,30-21-17-14-18-22-30)33-43(36-44,37-41)27(9)10/h13-28H,1-12H3
• InChIKey: RWODCIWFWUHBMO-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.25
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
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 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane?

The IUPAC name of 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane (CID 102351920) is 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane.

What is the SMILES notation for 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane?

The canonical SMILES for 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane is CC(C)[Si]12O[Si](C(C)C)(O[Si]3(C(C)C)O[Si](C(C)C)(O1)O[Si](c1ccccc1)(C(C)C)O3)O[Si](c1ccccc1)(C(C)C)O2.

What is the InChIKey of 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane?

The InChIKey is RWODCIWFWUHBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O8Si6/c1-23(2)39(29-19-15-13-16-20-29)31-41(25(5)6)35-42(32-39,26(7)8)38-44(28(11)12)34-40(24(3)4,30-21-17-14-18-22-30)33-43(36-44,37-41)27(9)10/h13-28H,1-12H3.

What are the key properties of 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane?

5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane has a molecular weight of 709.25 g/mol, XLogP of 7.07, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11-diphenyl-1,3,5,7,9,11-hexa(propan-2-yl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane is sourced from PubChem (CID 102351920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).