2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone

C108H90O54 — CID 161472995

About 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone

2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone (PubChem CID 161472995) has the molecular formula C108H90O54 and a molecular weight of 2251.85 g/mol. Its IUPAC name is 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone.

Molecular Properties

• Compound Name: 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone
• PubChem CID: 161472995
• Molecular Formula: C108H90O54
• Molecular Weight: 2251.85 g/mol
• Exact Mass: 2250.43
• IUPAC Name: 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone
• SMILES: O=C1CC(C2CCC(C3CC(=O)OC3=O)CC2)C(=O)O1.O=C1CC(c2ccc(C3CC(=O)OC(=O)C3)cc2)CC(=O)O1.O=C1CC(c2ccc(C3CC(=O)OC3=O)cc2)C(=O)O1.O=C1CC2(CC(=O)O1)CC(=O)OC2=O.O=C1CC2(CC3CC2C(=O)OC3=O)C(=O)O1.O=C1CC2C3CC(C(=O)OC3=O)C2C(=O)O1.O=C1CC2C3CC(C2C(=O)O1)C1C(=O)OC(=O)C31.O=C1OC(=O)C2C3C=CC(C12)C1C(=O)OC(=O)C31.O=C1OC(=O)C2C3CCC(C12)C1C(=O)OC(=O)C31
• InChI: InChI=1S/C16H14O6.C14H16O6.C14H10O6.2C12H10O6.C12H8O6.2C10H8O6.C8H6O6/c17-13-5-11(6-14(18)21-13)9-1-2-10(4-3-9)12-7-15(19)22-16(20)8-12;2*15-11-5-9(13(17)19-11)7-1-2-8(4-3-7)10-6-12(16)20-14(10)18;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;11-6-3-10(9(14)15-6)2-4-1-5(10)8(13)16-7(4)12;11-6-2-3-4-1-5(7(3)10(14)15-6)9(13)16-8(4)12;9-4-1-8(2-5(10)13-4)3-6(11)14-7(8)12/h1-4,11-12H,5-8H2;7-10H,1-6H2;1-4,9-10H,5-6H2;3-5,7-9H,1-2H2;3-8H,1-2H2;1-8H;4-5H,1-3H2;3-5,7H,1-2H2;1-3H2
• InChIKey: WDIIXJUQORRMPE-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 780.66 Ų
• H-Bond Acceptors: 54
• Rotatable Bonds: 6
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2251.85
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	54

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 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone?

The IUPAC name of 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone (CID 161472995) is 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone.

What is the SMILES notation for 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone?

The canonical SMILES for 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone is O=C1CC(C2CCC(C3CC(=O)OC3=O)CC2)C(=O)O1.O=C1CC(c2ccc(C3CC(=O)OC(=O)C3)cc2)CC(=O)O1.O=C1CC(c2ccc(C3CC(=O)OC3=O)cc2)C(=O)O1.O=C1CC2(CC(=O)O1)CC(=O)OC2=O.O=C1CC2(CC3CC2C(=O)OC3=O)C(=O)O1.O=C1CC2C3CC(C(=O)OC3=O)C2C(=O)O1.O=C1CC2C3CC(C2C(=O)O1)C1C(=O)OC(=O)C31.O=C1OC(=O)C2C3C=CC(C12)C1C(=O)OC(=O)C31.O=C1OC(=O)C2C3CCC(C12)C1C(=O)OC(=O)C31.

What is the InChIKey of 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone?

The InChIKey is WDIIXJUQORRMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6.C14H16O6.C14H10O6.2C12H10O6.C12H8O6.2C10H8O6.C8H6O6/c17-13-5-11(6-14(18)21-13)9-1-2-10(4-3-9)12-7-15(19)22-16(20)8-12;2*15-11-5-9(13(17)19-11)7-1-2-8(4-3-7)10-6-12(16)20-14(10)18;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;11-6-3-10(9(14)15-6)2-4-1-5(10)8(13)16-7(4)12;11-6-2-3-4-1-5(7(3)10(14)15-6)9(13)16-8(4)12;9-4-1-8(2-5(10)13-4)3-6(11)14-7(8)12/h1-4,11-12H,5-8H2;7-10H,1-6H2;1-4,9-10H,5-6H2;3-5,7-9H,1-2H2;3-8H,1-2H2;1-8H;4-5H,1-3H2;3-5,7H,1-2H2;1-3H2.

What are the key properties of 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone?

2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone has a molecular weight of 2251.85 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dioxaspiro[4.5]decane-1,3,7,9-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-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]oxolane-2,5-dione;3-[4-(2,5-dioxooxolan-3-yl)phenyl]oxolane-2,5-dione;spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone is sourced from PubChem (CID 161472995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).