5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol

C73H96O6 — CID 10677631

About 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol

5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol (PubChem CID 10677631) has the molecular formula C73H96O6 and a molecular weight of 1069.56 g/mol. Its IUPAC name is 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol.

Molecular Properties

• Compound Name: 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol
• PubChem CID: 10677631
• Molecular Formula: C73H96O6
• Molecular Weight: 1069.56 g/mol
• Exact Mass: 1068.72
• IUPAC Name: 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCC1CCCCC1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2
• InChI: InChI=1S/C73H96O6/c1-68(2,3)56-30-44-24-46-32-57(69(4,5)6)34-48(63(46)75)26-50-36-59(71(10,11)12)38-52(65(50)77)28-54-40-61(73(16,17)18)41-55(67(54)79-42-43-22-20-19-21-23-43)29-53-39-60(72(13,14)15)37-51(66(53)78)27-49-35-58(70(7,8)9)33-47(64(49)76)25-45(31-56)62(44)74/h30-41,43,74-78H,19-29,42H2,1-18H3
• InChIKey: ZTPWZKFINVJNMI-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 110.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.56
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol?

The IUPAC name of 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol (CID 10677631) is 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol.

What is the SMILES notation for 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol?

The canonical SMILES for 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCC1CCCCC1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2.

What is the InChIKey of 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol?

The InChIKey is ZTPWZKFINVJNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H96O6/c1-68(2,3)56-30-44-24-46-32-57(69(4,5)6)34-48(63(46)75)26-50-36-59(71(10,11)12)38-52(65(50)77)28-54-40-61(73(16,17)18)41-55(67(54)79-42-43-22-20-19-21-23-43)29-53-39-60(72(13,14)15)37-51(66(53)78)27-49-35-58(70(7,8)9)33-47(64(49)76)25-45(31-56)62(44)74/h30-41,43,74-78H,19-29,42H2,1-18H3.

What are the key properties of 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol?

5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol has a molecular weight of 1069.56 g/mol, XLogP of 17.82, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23,29,35-hexatert-butyl-42-(cyclohexylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol is sourced from PubChem (CID 10677631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).