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

C160H352O48Si32 — CID 139040732

About 1,3,5,7,9,11,13,15-octapentyl-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-octapentyl-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 139040732) has the molecular formula C160H352O48Si32 and a molecular weight of 3943.28 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octapentyl-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-octapentyl-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: 139040732
• Molecular Formula: C160H352O48Si32
• Molecular Weight: 3943.28 g/mol
• Exact Mass: 3937.77
• IUPAC Name: 1,3,5,7,9,11,13,15-octapentyl-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: CCCCC[Si]12O[Si]3(CCCCC)O[Si]4(CCCCC)O[Si](CCCCC)(O1)O[Si]1(CCCCC)O[Si](CCCCC)(O2)O[Si](CCCCC)(O3)O[Si](CCCCC)(O4)O1.CCCCC[Si]12O[Si]3(CCCCC)O[Si]4(CCCCC)O[Si](CCCCC)(O1)O[Si]1(CCCCC)O[Si](CCCCC)(O2)O[Si](CCCCC)(O3)O[Si](CCCCC)(O4)O1.CCCCC[Si]12O[Si]3(CCCCC)O[Si]4(CCCCC)O[Si](CCCCC)(O1)O[Si]1(CCCCC)O[Si](CCCCC)(O2)O[Si](CCCCC)(O3)O[Si](CCCCC)(O4)O1.CCCCC[Si]12O[Si]3(CCCCC)O[Si]4(CCCCC)O[Si](CCCCC)(O1)O[Si]1(CCCCC)O[Si](CCCCC)(O2)O[Si](CCCCC)(O3)O[Si](CCCCC)(O4)O1
• InChI: InChI=1S/4C40H88O12Si8/c4*1-9-17-25-33-53-41-54(34-26-18-10-2)44-57(37-29-21-13-5)46-55(42-53,35-27-19-11-3)48-59(39-31-23-15-7)49-56(43-53,36-28-20-12-4)47-58(45-54,38-30-22-14-6)51-60(50-57,52-59)40-32-24-16-8/h4*9-40H2,1-8H3
• InChIKey: VGEMLEXZKVOYNR-UHFFFAOYSA-N
• XLogP: 53.15
• TPSA: 443.04 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 128
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3943.28
LogP ≤ 5	53.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

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-octapentyl-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-octapentyl-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 139040732) is 1,3,5,7,9,11,13,15-octapentyl-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-octapentyl-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-octapentyl-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 CCCCC[Si]12O[Si]3(CCCCC)O[Si]4(CCCCC)O[Si](CCCCC)(O1)O[Si]1(CCCCC)O[Si](CCCCC)(O2)O[Si](CCCCC)(O3)O[Si](CCCCC)(O4)O1.CCCCC[Si]12O[Si]3(CCCCC)O[Si]4(CCCCC)O[Si](CCCCC)(O1)O[Si]1(CCCCC)O[Si](CCCCC)(O2)O[Si](CCCCC)(O3)O[Si](CCCCC)(O4)O1.CCCCC[Si]12O[Si]3(CCCCC)O[Si]4(CCCCC)O[Si](CCCCC)(O1)O[Si]1(CCCCC)O[Si](CCCCC)(O2)O[Si](CCCCC)(O3)O[Si](CCCCC)(O4)O1.CCCCC[Si]12O[Si]3(CCCCC)O[Si]4(CCCCC)O[Si](CCCCC)(O1)O[Si]1(CCCCC)O[Si](CCCCC)(O2)O[Si](CCCCC)(O3)O[Si](CCCCC)(O4)O1.

What is the InChIKey of 1,3,5,7,9,11,13,15-octapentyl-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 VGEMLEXZKVOYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C40H88O12Si8/c4*1-9-17-25-33-53-41-54(34-26-18-10-2)44-57(37-29-21-13-5)46-55(42-53,35-27-19-11-3)48-59(39-31-23-15-7)49-56(43-53,36-28-20-12-4)47-58(45-54,38-30-22-14-6)51-60(50-57,52-59)40-32-24-16-8/h4*9-40H2,1-8H3.

What are the key properties of 1,3,5,7,9,11,13,15-octapentyl-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-octapentyl-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 3943.28 g/mol, XLogP of 53.15, 128 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,5,7,9,11,13,15-octapentyl-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 139040732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).