10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene

C60H36O6 — CID 132514163

About 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene

10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene (PubChem CID 132514163) has the molecular formula C60H36O6 and a molecular weight of 852.94 g/mol. Its IUPAC name is 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene.

Molecular Properties

• Compound Name: 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene
• PubChem CID: 132514163
• Molecular Formula: C60H36O6
• Molecular Weight: 852.94 g/mol
• Exact Mass: 852.25
• IUPAC Name: 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene
• SMILES: COc1c(OC)c2ccc3cc2c2cc(ccc12)=C=C=C=C=c1ccc2c(OC)c(OC)c4ccc(cc4c2c1)=C=C=C=C=c1ccc2c(OC)c(OC)c4ccc(cc4c2c1)=C=C=C=C=3
• InChI: InChI=1S/C60H36O6/c1-61-55-43-25-19-37-13-7-8-15-39-21-27-45-51(33-39)53-35-41(23-29-47(53)59(65-5)57(45)63-3)17-11-12-18-42-24-30-48-54(36-42)52-34-40(22-28-46(52)58(64-4)60(48)66-6)16-10-9-14-38-20-26-44(56(55)62-2)50(32-38)49(43)31-37/h19-36H,1-6H3
• InChIKey: DWJDMVLZIJSCRM-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.94
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene?

The IUPAC name of 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene (CID 132514163) is 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene.

What is the SMILES notation for 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene?

The canonical SMILES for 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene is COc1c(OC)c2ccc3cc2c2cc(ccc12)=C=C=C=C=c1ccc2c(OC)c(OC)c4ccc(cc4c2c1)=C=C=C=C=c1ccc2c(OC)c(OC)c4ccc(cc4c2c1)=C=C=C=C=3.

What is the InChIKey of 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene?

The InChIKey is DWJDMVLZIJSCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36O6/c1-61-55-43-25-19-37-13-7-8-15-39-21-27-45-51(33-39)53-35-41(23-29-47(53)59(65-5)57(45)63-3)17-11-12-18-42-24-30-48-54(36-42)52-34-40(22-28-46(52)58(64-4)60(48)66-6)16-10-9-14-38-20-26-44(56(55)62-2)50(32-38)49(43)31-37/h19-36H,1-6H3.

What are the key properties of 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene?

10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene has a molecular weight of 852.94 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10,11,24,25,38,39-hexamethoxydecacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene is sourced from PubChem (CID 132514163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).