4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione

C74H78O36 — CID 159493854

About 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione

4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione (PubChem CID 159493854) has the molecular formula C74H78O36 and a molecular weight of 1543.40 g/mol. Its IUPAC name is 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione.

Molecular Properties

• Compound Name: 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione
• PubChem CID: 159493854
• Molecular Formula: C74H78O36
• Molecular Weight: 1543.40 g/mol
• Exact Mass: 1542.43
• IUPAC Name: 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione
• SMILES: CC1(C2(C)CC(=O)OC2=O)CC(=O)OC1=O.CC1C(=O)OC(=O)C1CC1C(=O)OC(=O)C1C.O=C1CC(C2CC(=O)OC(=O)C2)CC(=O)O1.O=C1CC(C2CCC(C3CC(=O)OC(=O)C3)CC2)CC(=O)O1.O=C1CC(CC2CC(=O)OC(=O)C2)CC(=O)O1.O=C1CC(c2ccc(C3CC(=O)OC(=O)C3)cc2)CC(=O)O1
• InChI: InChI=1S/C16H20O6.C16H14O6.2C11H12O6.2C10H10O6/c2*17-13-5-11(6-14(18)21-13)9-1-2-10(4-3-9)12-7-15(19)22-16(20)8-12;12-8-2-6(3-9(13)16-8)1-7-4-10(14)17-11(15)5-7;1-4-6(10(14)16-8(4)12)3-7-5(2)9(13)17-11(7)15;1-9(3-5(11)15-7(9)13)10(2)4-6(12)16-8(10)14;11-7-1-5(2-8(12)15-7)6-3-9(13)16-10(14)4-6/h9-12H,1-8H2;1-4,11-12H,5-8H2;6-7H,1-5H2;4-7H,3H2,1-2H3;3-4H2,1-2H3;5-6H,1-4H2
• InChIKey: LYNMJFYBUOTXNQ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 520.44 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 10
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1543.40
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

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 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione?

The IUPAC name of 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione (CID 159493854) is 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione.

What is the SMILES notation for 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione?

The canonical SMILES for 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione is CC1(C2(C)CC(=O)OC2=O)CC(=O)OC1=O.CC1C(=O)OC(=O)C1CC1C(=O)OC(=O)C1C.O=C1CC(C2CC(=O)OC(=O)C2)CC(=O)O1.O=C1CC(C2CCC(C3CC(=O)OC(=O)C3)CC2)CC(=O)O1.O=C1CC(CC2CC(=O)OC(=O)C2)CC(=O)O1.O=C1CC(c2ccc(C3CC(=O)OC(=O)C3)cc2)CC(=O)O1.

What is the InChIKey of 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione?

The InChIKey is LYNMJFYBUOTXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6.C16H14O6.2C11H12O6.2C10H10O6/c2*17-13-5-11(6-14(18)21-13)9-1-2-10(4-3-9)12-7-15(19)22-16(20)8-12;12-8-2-6(3-9(13)16-8)1-7-4-10(14)17-11(15)5-7;1-4-6(10(14)16-8(4)12)3-7-5(2)9(13)17-11(7)15;1-9(3-5(11)15-7(9)13)10(2)4-6(12)16-8(10)14;11-7-1-5(2-8(12)15-7)6-3-9(13)16-10(14)4-6/h9-12H,1-8H2;1-4,11-12H,5-8H2;6-7H,1-5H2;4-7H,3H2,1-2H3;3-4H2,1-2H3;5-6H,1-4H2.

What are the key properties of 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione?

4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione has a molecular weight of 1543.40 g/mol, XLogP of 3.61, 10 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,6-dioxooxan-4-yl)cyclohexyl]oxane-2,6-dione;4-[(2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione;4-(2,6-dioxooxan-4-yl)oxane-2,6-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-4-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione is sourced from PubChem (CID 159493854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).