potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

C71H70B2BrKO6 — CID 159388647

About potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (PubChem CID 159388647) has the molecular formula C71H70B2BrKO6 and a molecular weight of 1159.96 g/mol. Its IUPAC name is potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
• PubChem CID: 159388647
• Molecular Formula: C71H70B2BrKO6
• Molecular Weight: 1159.96 g/mol
• Exact Mass: 1158.42
• IUPAC Name: potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
• SMILES: Brc1ccc2c(c1)c1ccccc1c1c3ccccc3c3ccccc3c21.C1CCOC1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccc3c(c2)c2ccccc2c2c4ccccc4c4ccccc4c32)OC1(C)C.[H-].[K+]
• InChI: InChI=1S/C32H27BO2.C26H15Br.C9H19BO3.C4H8O.K.H/c1-31(2)32(3,4)35-33(34-31)20-17-18-27-28(19-20)23-13-7-10-16-26(23)29-24-14-8-5-11-21(24)22-12-6-9-15-25(22)30(27)29;27-16-13-14-23-24(15-16)19-9-3-6-12-22(19)25-20-10-4-1-7-17(20)18-8-2-5-11-21(18)26(23)25;1-7(2)11-10-12-8(3,4)9(5,6)13-10;1-2-4-5-3-1;;/h5-19H,1-4H3;1-15H;7H,1-6H3;1-4H2;;/q;;;;+1;-1
• InChIKey: CLUAKUPXWIKAHX-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1159.96
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?

The IUPAC name of potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (CID 159388647) is potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

What is the SMILES notation for potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?

The canonical SMILES for potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is Brc1ccc2c(c1)c1ccccc1c1c3ccccc3c3ccccc3c21.C1CCOC1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccc3c(c2)c2ccccc2c2c4ccccc4c4ccccc4c32)OC1(C)C.[H-].[K+].

What is the InChIKey of potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?

The InChIKey is CLUAKUPXWIKAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27BO2.C26H15Br.C9H19BO3.C4H8O.K.H/c1-31(2)32(3,4)35-33(34-31)20-17-18-27-28(19-20)23-13-7-10-16-26(23)29-24-14-8-5-11-21(24)22-12-6-9-15-25(22)30(27)29;27-16-13-14-23-24(15-16)19-9-3-6-12-22(19)25-20-10-4-1-7-17(20)18-8-2-5-11-21(18)26(23)25;1-7(2)11-10-12-8(3,4)9(5,6)13-10;1-2-4-5-3-1;;/h5-19H,1-4H3;1-15H;7H,1-6H3;1-4H2;;/q;;;;+1;-1.

What are the key properties of potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?

potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane has a molecular weight of 1159.96 g/mol, XLogP of 15.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is sourced from PubChem (CID 159388647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).