5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol

C92H118O8 — CID 102572376

About 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol

5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol (PubChem CID 102572376) has the molecular formula C92H118O8 and a molecular weight of 1351.95 g/mol. Its IUPAC name is 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol.

Molecular Properties

• Compound Name: 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol
• PubChem CID: 102572376
• Molecular Formula: C92H118O8
• Molecular Weight: 1351.95 g/mol
• Exact Mass: 1350.88
• IUPAC Name: 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc3c1OCCCCOc1c(cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C3)Cc1cc(C(C)(C)C)cc(c1O)C2
• InChI: InChI=1S/C92H118O8/c1-85(2,3)69-37-53-29-57-41-71(87(7,8)9)45-61(79(57)95)33-65-49-75(91(19,20)21)51-67-35-63-47-73(89(13,14)15)43-59(81(63)97)31-55-39-70(86(4,5)6)40-56(78(55)94)32-60-44-74(90(16,17)18)48-64(82(60)98)36-68-52-76(92(22,23)24)50-66(84(68)100-28-26-25-27-99-83(65)67)34-62-46-72(88(10,11)12)42-58(80(62)96)30-54(38-69)77(53)93/h37-52,93-98H,25-36H2,1-24H3
• InChIKey: VCPPBAWSCAPDJF-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 139.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1351.95
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol?

The IUPAC name of 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol (CID 102572376) is 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol.

What is the SMILES notation for 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol?

The canonical SMILES for 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc3c1OCCCCOc1c(cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C3)Cc1cc(C(C)(C)C)cc(c1O)C2.

What is the InChIKey of 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol?

The InChIKey is VCPPBAWSCAPDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H118O8/c1-85(2,3)69-37-53-29-57-41-71(87(7,8)9)45-61(79(57)95)33-65-49-75(91(19,20)21)51-67-35-63-47-73(89(13,14)15)43-59(81(63)97)31-55-39-70(86(4,5)6)40-56(78(55)94)32-60-44-74(90(16,17)18)48-64(82(60)98)36-68-52-76(92(22,23)24)50-66(84(68)100-28-26-25-27-99-83(65)67)34-62-46-72(88(10,11)12)42-58(80(62)96)30-54(38-69)77(53)93/h37-52,93-98H,25-36H2,1-24H3.

What are the key properties of 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol?

5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol has a molecular weight of 1351.95 g/mol, XLogP of 21.89, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol is sourced from PubChem (CID 102572376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).