5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene

C152H144O12 — CID 162254000

About 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene

5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene (PubChem CID 162254000) has the molecular formula C152H144O12 and a molecular weight of 2162.81 g/mol. Its IUPAC name is 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene.

Molecular Properties

• Compound Name: 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
• PubChem CID: 162254000
• Molecular Formula: C152H144O12
• Molecular Weight: 2162.81 g/mol
• Exact Mass: 2161.07
• IUPAC Name: 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
• SMILES: COCOC12CCC(C)(CC1)c1ccc(cc1)-c1ccc(cc1)C1(C)CCC(OCOC)(CC1)c1ccc(cc1)-c1ccc(cc1)C1(OCOC)CCC(OCOC)(CC1)c1ccc(cc1)-c1ccc(cc1)C1(OCOC)CCC(OCOC)(CC1)c1ccc(cc1)-c1ccc(cc1)-c1ccc2cc1.c1cc2ccc1-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc-2cc1
• InChI: InChI=1S/C92H104O12.C60H40/c1-85-45-49-87(50-46-85,99-61-93-3)79-33-17-71(18-34-79)67-9-11-68(12-10-67)72-19-37-81(38-20-72)89(101-63-95-5)53-55-90(56-54-89,102-64-96-6)83-41-25-75(26-42-83)76-27-43-84(44-28-76)92(104-66-98-8)59-57-91(58-60-92,103-65-97-7)82-39-23-74(24-40-82)73-21-35-80(36-22-73)88(100-62-94-4)51-47-86(2,48-52-88)78-31-15-70(16-32-78)69-13-29-77(85)30-14-69;1-2-42-4-3-41(1)43-5-7-45(8-6-43)47-13-15-49(16-14-47)51-21-23-53(24-22-51)55-29-31-57(32-30-55)59-37-39-60(40-38-59)58-35-33-56(34-36-58)54-27-25-52(26-28-54)50-19-17-48(18-20-50)46-11-9-44(42)10-12-46/h9-44H,45-66H2,1-8H3;1-40H/b;43-41-,44-42-,47-45-,48-46-,51-49-,52-50-,55-53-,56-54-,59-57-,60-58-
• InChIKey: ZYIYLKCOBMVSIV-HMMYENNTSA-N
• XLogP: 37.51
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.81
LogP ≤ 5	37.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene?

The IUPAC name of 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene (CID 162254000) is 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene.

What is the SMILES notation for 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene?

The canonical SMILES for 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene is COCOC12CCC(C)(CC1)c1ccc(cc1)-c1ccc(cc1)C1(C)CCC(OCOC)(CC1)c1ccc(cc1)-c1ccc(cc1)C1(OCOC)CCC(OCOC)(CC1)c1ccc(cc1)-c1ccc(cc1)C1(OCOC)CCC(OCOC)(CC1)c1ccc(cc1)-c1ccc(cc1)-c1ccc2cc1.c1cc2ccc1-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc-2cc1.

What is the InChIKey of 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene?

The InChIKey is ZYIYLKCOBMVSIV-HMMYENNTSA-N. The full InChI is InChI=1S/C92H104O12.C60H40/c1-85-45-49-87(50-46-85,99-61-93-3)79-33-17-71(18-34-79)67-9-11-68(12-10-67)72-19-37-81(38-20-72)89(101-63-95-5)53-55-90(56-54-89,102-64-96-6)83-41-25-75(26-42-83)76-27-43-84(44-28-76)92(104-66-98-8)59-57-91(58-60-92,103-65-97-7)82-39-23-74(24-40-82)73-21-35-80(36-22-73)88(100-62-94-4)51-47-86(2,48-52-88)78-31-15-70(16-32-78)69-13-29-77(85)30-14-69;1-2-42-4-3-41(1)43-5-7-45(8-6-43)47-13-15-49(16-14-47)51-21-23-53(24-22-51)55-29-31-57(32-30-55)59-37-39-60(40-38-59)58-35-33-56(34-36-58)54-27-25-52(26-28-54)50-19-17-48(18-20-50)46-11-9-44(42)10-12-46/h9-44H,45-66H2,1-8H3;1-40H/b;43-41-,44-42-,47-45-,48-46-,51-49-,52-50-,55-53-,56-54-,59-57-,60-58-.

What are the key properties of 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene?

5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene has a molecular weight of 2162.81 g/mol, XLogP of 37.51, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene is sourced from PubChem (CID 162254000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).