5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene

C70H85F15O10 — CID 102597563

About 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene

5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene (PubChem CID 102597563) has the molecular formula C70H85F15O10 and a molecular weight of 1371.41 g/mol. Its IUPAC name is 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene.

Molecular Properties

• Compound Name: 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene
• PubChem CID: 102597563
• Molecular Formula: C70H85F15O10
• Molecular Weight: 1371.41 g/mol
• Exact Mass: 1370.59
• IUPAC Name: 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene
• SMILES: COc1c2cc(C(C)(C)C)cc1C(OCC(F)(F)F)c1cc(C(C)(C)C)cc(c1OC)C(OCC(F)(F)F)c1cc(C(C)(C)C)cc(c1OC)C(OCC(F)(F)F)c1cc(C(C)(C)C)cc(c1OC)C(OCC(F)(F)F)c1cc(C(C)(C)C)cc(c1OC)C2OCC(F)(F)F
• InChI: InChI=1S/C70H85F15O10/c1-61(2,3)36-21-41-51(86-16)42(22-36)57(92-32-67(74,75)76)44-24-38(63(7,8)9)26-46(53(44)88-18)59(94-34-69(80,81)82)48-28-40(65(13,14)15)30-50(55(48)90-20)60(95-35-70(83,84)85)49-29-39(64(10,11)12)27-47(54(49)89-19)58(93-33-68(77,78)79)45-25-37(62(4,5)6)23-43(52(45)87-17)56(41)91-31-66(71,72)73/h21-30,56-60H,31-35H2,1-20H3
• InChIKey: KEJDUFUCNMKPKY-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1371.41
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene?

The IUPAC name of 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene (CID 102597563) is 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene.

What is the SMILES notation for 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene?

The canonical SMILES for 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene is COc1c2cc(C(C)(C)C)cc1C(OCC(F)(F)F)c1cc(C(C)(C)C)cc(c1OC)C(OCC(F)(F)F)c1cc(C(C)(C)C)cc(c1OC)C(OCC(F)(F)F)c1cc(C(C)(C)C)cc(c1OC)C(OCC(F)(F)F)c1cc(C(C)(C)C)cc(c1OC)C2OCC(F)(F)F.

What is the InChIKey of 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene?

The InChIKey is KEJDUFUCNMKPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H85F15O10/c1-61(2,3)36-21-41-51(86-16)42(22-36)57(92-32-67(74,75)76)44-24-38(63(7,8)9)26-46(53(44)88-18)59(94-34-69(80,81)82)48-28-40(65(13,14)15)30-50(55(48)90-20)60(95-35-70(83,84)85)49-29-39(64(10,11)12)27-47(54(49)89-19)58(93-33-68(77,78)79)45-25-37(62(4,5)6)23-43(52(45)87-17)56(41)91-31-66(71,72)73/h21-30,56-60H,31-35H2,1-20H3.

What are the key properties of 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene?

5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene has a molecular weight of 1371.41 g/mol, XLogP of 19.87, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentakis(2,2,2-trifluoroethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene is sourced from PubChem (CID 102597563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).