2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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

C60H75Br5O5 — CID 102597562

About 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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

2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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 102597562) has the molecular formula C60H75Br5O5 and a molecular weight of 1275.77 g/mol. Its IUPAC name is 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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: 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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: 102597562
• Molecular Formula: C60H75Br5O5
• Molecular Weight: 1275.77 g/mol
• Exact Mass: 1270.15
• IUPAC Name: 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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(Br)c1cc(C(C)(C)C)cc(c1OC)C(Br)c1cc(C(C)(C)C)cc(c1OC)C(Br)c1cc(C(C)(C)C)cc(c1OC)C(Br)c1cc(C(C)(C)C)cc(c1OC)C2Br
• InChI: InChI=1S/C60H75Br5O5/c1-56(2,3)31-21-36-46(61)38-23-32(57(4,5)6)25-40(52(38)67-17)48(63)42-27-34(59(10,11)12)29-44(54(42)69-19)50(65)45-30-35(60(13,14)15)28-43(55(45)70-20)49(64)41-26-33(58(7,8)9)24-39(53(41)68-18)47(62)37(22-31)51(36)66-16/h21-30,46-50H,1-20H3
• InChIKey: FPVUGANANVNVIW-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1275.77
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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 102597562) is 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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(Br)c1cc(C(C)(C)C)cc(c1OC)C(Br)c1cc(C(C)(C)C)cc(c1OC)C(Br)c1cc(C(C)(C)C)cc(c1OC)C(Br)c1cc(C(C)(C)C)cc(c1OC)C2Br.

What is the InChIKey of 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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 FPVUGANANVNVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H75Br5O5/c1-56(2,3)31-21-36-46(61)38-23-32(57(4,5)6)25-40(52(38)67-17)48(63)42-27-34(59(10,11)12)29-44(54(42)69-19)50(65)45-30-35(60(13,14)15)28-43(55(45)70-20)49(64)41-26-33(58(7,8)9)24-39(53(41)68-18)47(62)37(22-31)51(36)66-16/h21-30,46-50H,1-20H3.

What are the key properties of 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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?

2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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 1275.77 g/mol, XLogP of 18.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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 102597562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).