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

C56H120O12Si8 — CID 15328180

IUPAC1,3,5,7,9,11,13,15-octaheptyl-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
SMILESCCCCCCC[Si]12O[Si]3(CCCCCCC)O[Si]4(CCCCCCC)O[Si](CCCCCCC)(O1)O[Si]1(CCCCCCC)O[Si](CCCCCCC)(O2)O[Si](CCCCCCC)(O3)O[Si](CCCCCCC)(O4)O1
InChIInChI=1S/C56H120O12Si8/c1-9-17-25-33-41-49-69-57-70(50-42-34-26-18-10-2)60-73(53-45-37-29-21-13-5)62-71(58-69,51-43-35-27-19-11-3)64-75(55-47-39-31-23-15-7)65-72(59-69,52-44-36-28-20-12-4)63-74(61-70,54-46-38-30-22-14-6)67-76(66-73,68-75)56-48-40-32-24-16-8/h9-56H2,1-8H3
InChIKeyUUPPODMJIHSFAB-UHFFFAOYSA-N
MW1210.25 g/mol
LogP19.53
Rot. Bonds48

About 1,3,5,7,9,11,13,15-octaheptyl-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-octaheptyl-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 15328180) has the molecular formula C56H120O12Si8 and a molecular weight of 1210.25 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octaheptyl-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 Name1,3,5,7,9,11,13,15-octaheptyl-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 CID15328180
Molecular FormulaC56H120O12Si8
Molecular Weight1210.25 g/mol
Exact Mass1208.69
IUPAC Name1,3,5,7,9,11,13,15-octaheptyl-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
SMILESCCCCCCC[Si]12O[Si]3(CCCCCCC)O[Si]4(CCCCCCC)O[Si](CCCCCCC)(O1)O[Si]1(CCCCCCC)O[Si](CCCCCCC)(O2)O[Si](CCCCCCC)(O3)O[Si](CCCCCCC)(O4)O1
InChIInChI=1S/C56H120O12Si8/c1-9-17-25-33-41-49-69-57-70(50-42-34-26-18-10-2)60-73(53-45-37-29-21-13-5)62-71(58-69,51-43-35-27-19-11-3)64-75(55-47-39-31-23-15-7)65-72(59-69,52-44-36-28-20-12-4)63-74(61-70,54-46-38-30-22-14-6)67-76(66-73,68-75)56-48-40-32-24-16-8/h9-56H2,1-8H3
InChIKeyUUPPODMJIHSFAB-UHFFFAOYSA-N
XLogP19.53
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds48
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001210.25
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13,15-octaheptyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15-octaheptyl-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-octaheptyl-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 15328180) is 1,3,5,7,9,11,13,15-octaheptyl-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-octaheptyl-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-octaheptyl-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 CCCCCCC[Si]12O[Si]3(CCCCCCC)O[Si]4(CCCCCCC)O[Si](CCCCCCC)(O1)O[Si]1(CCCCCCC)O[Si](CCCCCCC)(O2)O[Si](CCCCCCC)(O3)O[Si](CCCCCCC)(O4)O1.
What is the InChIKey of 1,3,5,7,9,11,13,15-octaheptyl-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 UUPPODMJIHSFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H120O12Si8/c1-9-17-25-33-41-49-69-57-70(50-42-34-26-18-10-2)60-73(53-45-37-29-21-13-5)62-71(58-69,51-43-35-27-19-11-3)64-75(55-47-39-31-23-15-7)65-72(59-69,52-44-36-28-20-12-4)63-74(61-70,54-46-38-30-22-14-6)67-76(66-73,68-75)56-48-40-32-24-16-8/h9-56H2,1-8H3.
What are the key properties of 1,3,5,7,9,11,13,15-octaheptyl-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-octaheptyl-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 1210.25 g/mol, XLogP of 19.53, 48 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-octaheptyl-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 15328180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).