1,3,5,7,9,11,13,15-octaoctyl-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

C64H136O12Si8 — CID 15328181

About 1,3,5,7,9,11,13,15-octaoctyl-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-octaoctyl-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 15328181) has the molecular formula C64H136O12Si8 and a molecular weight of 1322.47 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octaoctyl-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-octaoctyl-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: 15328181
• Molecular Formula: C64H136O12Si8
• Molecular Weight: 1322.47 g/mol
• Exact Mass: 1320.82
• IUPAC Name: 1,3,5,7,9,11,13,15-octaoctyl-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: CCCCCCCC[Si]12O[Si]3(CCCCCCCC)O[Si]4(CCCCCCCC)O[Si](CCCCCCCC)(O1)O[Si]1(CCCCCCCC)O[Si](CCCCCCCC)(O2)O[Si](CCCCCCCC)(O3)O[Si](CCCCCCCC)(O4)O1
• InChI: InChI=1S/C64H136O12Si8/c1-9-17-25-33-41-49-57-77-65-78(58-50-42-34-26-18-10-2)68-81(61-53-45-37-29-21-13-5)70-79(66-77,59-51-43-35-27-19-11-3)72-83(63-55-47-39-31-23-15-7)73-80(67-77,60-52-44-36-28-20-12-4)71-82(69-78,62-54-46-38-30-22-14-6)75-84(74-81,76-83)64-56-48-40-32-24-16-8/h9-64H2,1-8H3
• InChIKey: HJRSGMZKFUQQPR-UHFFFAOYSA-N
• XLogP: 22.65
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 56
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1322.47
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15-octaoctyl-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-octaoctyl-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 15328181) is 1,3,5,7,9,11,13,15-octaoctyl-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-octaoctyl-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-octaoctyl-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 CCCCCCCC[Si]12O[Si]3(CCCCCCCC)O[Si]4(CCCCCCCC)O[Si](CCCCCCCC)(O1)O[Si]1(CCCCCCCC)O[Si](CCCCCCCC)(O2)O[Si](CCCCCCCC)(O3)O[Si](CCCCCCCC)(O4)O1.

What is the InChIKey of 1,3,5,7,9,11,13,15-octaoctyl-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 HJRSGMZKFUQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H136O12Si8/c1-9-17-25-33-41-49-57-77-65-78(58-50-42-34-26-18-10-2)68-81(61-53-45-37-29-21-13-5)70-79(66-77,59-51-43-35-27-19-11-3)72-83(63-55-47-39-31-23-15-7)73-80(67-77,60-52-44-36-28-20-12-4)71-82(69-78,62-54-46-38-30-22-14-6)75-84(74-81,76-83)64-56-48-40-32-24-16-8/h9-64H2,1-8H3.

What are the key properties of 1,3,5,7,9,11,13,15-octaoctyl-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-octaoctyl-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 1322.47 g/mol, XLogP of 22.65, 56 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-octaoctyl-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 15328181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).