4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

C87H64O42 — CID 162145889

About 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 162145889) has the molecular formula C87H64O42 and a molecular weight of 1781.43 g/mol. Its IUPAC name is 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

• Compound Name: 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
• PubChem CID: 162145889
• Molecular Formula: C87H64O42
• Molecular Weight: 1781.43 g/mol
• Exact Mass: 1780.29
• IUPAC Name: 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
• SMILES: CC1(C2CC(=O)OC2=O)CC2C(=O)OC(=O)C2c2ccccc21.O=C1CC2C3CC(C2C(=O)O1)C1C(=O)OC(=O)C31.O=C1CC2C3CCC(C2C(=O)O1)C1C(=O)OC(=O)C31.O=C1OC(=O)C2C3C=CC(C12)C1C(=O)OC(=O)C31.O=C1OC(=O)C2C3CC(C12)C1C(=O)OC(=O)C31.O=C1OC(=O)C2C3CCC(C12)C1C(=O)OC(=O)C31.O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12
• InChI: InChI=1S/C17H14O6.C13H12O6.2C12H10O6.C12H8O6.C11H8O6.C10H2O6/c1-17(11-6-12(18)22-15(11)20)7-9-13(16(21)23-14(9)19)8-4-2-3-5-10(8)17;14-7-3-6-4-1-2-5(8(6)11(15)18-7)10-9(4)12(16)19-13(10)17;13-6-2-4-3-1-5(7(4)10(14)17-6)9-8(3)11(15)18-12(9)16;2*13-9-5-3-1-2-4(7(5)11(15)17-9)8-6(3)10(14)18-12(8)16;12-8-4-2-1-3(6(4)10(14)16-8)7-5(2)9(13)17-11(7)15;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h2-5,9,11,13H,6-7H2,1H3;4-6,8-10H,1-3H2;3-5,7-9H,1-2H2;3-8H,1-2H2;1-8H;2-7H,1H2;1-2H
• InChIKey: ZKNWRYYQVVAQNQ-UHFFFAOYSA-N
• XLogP: -1.22
• TPSA: 615.00 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 1
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1781.43
LogP ≤ 5	-1.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?

The IUPAC name of 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 162145889) is 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

What is the SMILES notation for 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?

The canonical SMILES for 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is CC1(C2CC(=O)OC2=O)CC2C(=O)OC(=O)C2c2ccccc21.O=C1CC2C3CC(C2C(=O)O1)C1C(=O)OC(=O)C31.O=C1CC2C3CCC(C2C(=O)O1)C1C(=O)OC(=O)C31.O=C1OC(=O)C2C3C=CC(C12)C1C(=O)OC(=O)C31.O=C1OC(=O)C2C3CC(C12)C1C(=O)OC(=O)C31.O=C1OC(=O)C2C3CCC(C12)C1C(=O)OC(=O)C31.O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12.

What is the InChIKey of 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?

The InChIKey is ZKNWRYYQVVAQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6.C13H12O6.2C12H10O6.C12H8O6.C11H8O6.C10H2O6/c1-17(11-6-12(18)22-15(11)20)7-9-13(16(21)23-14(9)19)8-4-2-3-5-10(8)17;14-7-3-6-4-1-2-5(8(6)11(15)18-7)10-9(4)12(16)19-13(10)17;13-6-2-4-3-1-5(7(4)10(14)17-6)9-8(3)11(15)18-12(9)16;2*13-9-5-3-1-2-4(7(5)11(15)17-9)8-6(3)10(14)18-12(8)16;12-8-4-2-1-3(6(4)10(14)16-8)7-5(2)9(13)17-11(7)15;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h2-5,9,11,13H,6-7H2,1H3;4-6,8-10H,1-3H2;3-5,7-9H,1-2H2;3-8H,1-2H2;1-8H;2-7H,1H2;1-2H.

What are the key properties of 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?

4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 1781.43 g/mol, XLogP of -1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4,11-dioxatetracyclo[6.5.2.02,7.09,13]pentadecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;5-(2,5-dioxooxolan-3-yl)-5-methyl-4,9b-dihydro-3aH-benzo[e][2]benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 162145889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).