4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene

C88H88O22 — CID 177477117

About 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene

4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene (PubChem CID 177477117) has the molecular formula C88H88O22 and a molecular weight of 1497.65 g/mol. Its IUPAC name is 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene.

Molecular Properties

• Compound Name: 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
• PubChem CID: 177477117
• Molecular Formula: C88H88O22
• Molecular Weight: 1497.65 g/mol
• Exact Mass: 1496.58
• IUPAC Name: 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
• SMILES: COc1cc2c(OC)cc1-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c-2cc1OC
• InChI: InChI=1S/C88H88O22/c1-89-67-23-46-48-26-72(94-6)50(28-71(48)93-5)52-30-76(98-10)54(32-75(52)97-9)56-34-80(102-14)58(36-79(56)101-13)60-38-84(106-18)62(40-83(60)105-17)64-42-88(110-22)66(44-87(64)109-21)65-43-85(107-19)63(41-86(65)108-20)61-39-81(103-15)59(37-82(61)104-16)57-35-77(99-11)55(33-78(57)100-12)53-31-73(95-7)51(29-74(53)96-8)49-27-69(91-3)47(25-70(49)92-4)45(67)24-68(46)90-2/h23-44H,1-22H3/b47-45-,48-46-,51-49-,52-50+,55-53+,56-54+,59-57+,60-58+,63-61+,64-62-,66-65+
• InChIKey: WAGXXERMGDGNHU-YOFLDRNDSA-N
• XLogP: 18.53
• TPSA: 203.06 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.65
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene?

The IUPAC name of 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene (CID 177477117) is 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene.

What is the SMILES notation for 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene?

The canonical SMILES for 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene is COc1cc2c(OC)cc1-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c(cc1OC)-c1cc(OC)c-2cc1OC.

What is the InChIKey of 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene?

The InChIKey is WAGXXERMGDGNHU-YOFLDRNDSA-N. The full InChI is InChI=1S/C88H88O22/c1-89-67-23-46-48-26-72(94-6)50(28-71(48)93-5)52-30-76(98-10)54(32-75(52)97-9)56-34-80(102-14)58(36-79(56)101-13)60-38-84(106-18)62(40-83(60)105-17)64-42-88(110-22)66(44-87(64)109-21)65-43-85(107-19)63(41-86(65)108-20)61-39-81(103-15)59(37-82(61)104-16)57-35-77(99-11)55(33-78(57)100-12)53-31-73(95-7)51(29-74(53)96-8)49-27-69(91-3)47(25-70(49)92-4)45(67)24-68(46)90-2/h23-44H,1-22H3/b47-45-,48-46-,51-49-,52-50+,55-53+,56-54+,59-57+,60-58+,63-61+,64-62-,66-65+.

What are the key properties of 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene?

4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene has a molecular weight of 1497.65 g/mol, XLogP of 18.53, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene is sourced from PubChem (CID 177477117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).