[2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

C122H58F6O56 — CID 157214395

About [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

[2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (PubChem CID 157214395) has the molecular formula C122H58F6O56 and a molecular weight of 2533.74 g/mol. Its IUPAC name is [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.

Molecular Properties

• Compound Name: [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
• PubChem CID: 157214395
• Molecular Formula: C122H58F6O56
• Molecular Weight: 2533.74 g/mol
• Exact Mass: 2532.16
• IUPAC Name: [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
• SMILES: CC12C(=O)OC(=O)C1(C)C1(C)C(=O)OC(=O)C21C.CC12C(=O)OC(=O)C1C1(C)C(=O)OC(=O)C21.CC12C(=O)OC(=O)C1C1C(=O)OC(=O)C12.O=C1OC(=O)C2C1C1C(=O)OC(=O)C21.O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21.O=C1OC(=O)c2cc(Oc3ccc(Oc4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O.O=c1oc(=O)c2cc3c(ccc4c(=O)oc(=O)c43)cc12.O=c1oc(=O)c2cc3cc4c(=O)oc(=O)c4cc3cc12
• InChI: InChI=1S/C22H10O8.C19H6F6O6.3C14H4O6.C12H12O6.C10H8O6.C9H6O6.C8H4O6/c23-19-15-7-5-13(9-17(15)21(25)29-19)27-11-1-2-12(4-3-11)28-14-6-8-16-18(10-14)22(26)30-20(16)24;20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27;15-11-7-1-5-2-9-10(14(18)20-13(9)17)4-6(5)3-8(7)12(16)19-11;15-11-6-2-1-5-3-8-9(13(17)19-12(8)16)4-7(5)10(6)14(18)20-11;15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11;1-9-5(13)17-6(14)10(9,2)12(4)8(16)18-7(15)11(9,12)3;1-9-3(5(11)15-7(9)13)10(2)4(9)6(12)16-8(10)14;1-9-3-2(5(10)14-6(3)11)4(9)7(12)15-8(9)13;9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-10H;1-6H;3*1-4H;1-4H3;3-4H,1-2H3;2-4H,1H3;1-4H
• InChIKey: ASGFALHYFKEBPV-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 814.76 Ų
• H-Bond Acceptors: 56
• Rotatable Bonds: 6
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.74
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?

The IUPAC name of [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (CID 157214395) is [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.

What is the SMILES notation for [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?

The canonical SMILES for [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is CC12C(=O)OC(=O)C1(C)C1(C)C(=O)OC(=O)C21C.CC12C(=O)OC(=O)C1C1(C)C(=O)OC(=O)C21.CC12C(=O)OC(=O)C1C1C(=O)OC(=O)C12.O=C1OC(=O)C2C1C1C(=O)OC(=O)C21.O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21.O=C1OC(=O)c2cc(Oc3ccc(Oc4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O.O=c1oc(=O)c2cc3c(ccc4c(=O)oc(=O)c43)cc12.O=c1oc(=O)c2cc3cc4c(=O)oc(=O)c4cc3cc12.

What is the InChIKey of [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?

The InChIKey is ASGFALHYFKEBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10O8.C19H6F6O6.3C14H4O6.C12H12O6.C10H8O6.C9H6O6.C8H4O6/c23-19-15-7-5-13(9-17(15)21(25)29-19)27-11-1-2-12(4-3-11)28-14-6-8-16-18(10-14)22(26)30-20(16)24;20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27;15-11-7-1-5-2-9-10(14(18)20-13(9)17)4-6(5)3-8(7)12(16)19-11;15-11-6-2-1-5-3-8-9(13(17)19-12(8)16)4-7(5)10(6)14(18)20-11;15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11;1-9-5(13)17-6(14)10(9,2)12(4)8(16)18-7(15)11(9,12)3;1-9-3(5(11)15-7(9)13)10(2)4(9)6(12)16-8(10)14;1-9-3-2(5(10)14-6(3)11)4(9)7(12)15-8(9)13;9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-10H;1-6H;3*1-4H;1-4H3;3-4H,1-2H3;2-4H,1H3;1-4H.

What are the key properties of [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?

[2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone has a molecular weight of 2533.74 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for [2]benzofuro[5,6-e][2]benzofuran-1,3,7,9-tetrone;[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;1,6-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione;1-methyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is sourced from PubChem (CID 157214395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).