4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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

C99H108N2O48 — CID 161440098

IUPAC4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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
SMILESCC1(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(C2CCC(C3CC(=O)OC3=O)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.O=C1CN(CCN2CC(=O)OC(=O)C2)CC(=O)O1
InChIInChI=1S/C16H20O6.C16H14O6.C15H18O6.2C11H12O6.C10H12N2O6.2C10H10O6/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;16-12-5-10(6-13(17)20-12)8-1-3-9(4-2-8)11-7-14(18)21-15(11)19;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;13-7-3-11(4-8(14)17-7)1-2-12-5-9(15)18-10(16)6-12;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;8-11H,1-7H2;6-7H,1-5H2;4-7H,3H2,1-2H3;1-6H2;3-4H2,1-2H3;5-6H,1-4H2
InChIKeyVZDRFHAGMCSIJH-UHFFFAOYSA-N
MW2093.92 g/mol
LogP2.73
Rot. Bonds15

About 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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 161440098) has the molecular formula C99H108N2O48 and a molecular weight of 2093.92 g/mol. Its IUPAC name is 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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 Name4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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 CID161440098
Molecular FormulaC99H108N2O48
Molecular Weight2093.92 g/mol
Exact Mass2092.61
IUPAC Name4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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
SMILESCC1(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(C2CCC(C3CC(=O)OC3=O)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.O=C1CN(CCN2CC(=O)OC(=O)C2)CC(=O)O1
InChIInChI=1S/C16H20O6.C16H14O6.C15H18O6.2C11H12O6.C10H12N2O6.2C10H10O6/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;16-12-5-10(6-13(17)20-12)8-1-3-9(4-2-8)11-7-14(18)21-15(11)19;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;13-7-3-11(4-8(14)17-7)1-2-12-5-9(15)18-10(16)6-12;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;8-11H,1-7H2;6-7H,1-5H2;4-7H,3H2,1-2H3;1-6H2;3-4H2,1-2H3;5-6H,1-4H2
InChIKeyVZDRFHAGMCSIJH-UHFFFAOYSA-N
XLogP2.73
TPSA700.40 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002093.92
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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 161440098) is 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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(C2CCC(C3CC(=O)OC3=O)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.O=C1CN(CCN2CC(=O)OC(=O)C2)CC(=O)O1.
What is the InChIKey of 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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 VZDRFHAGMCSIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6.C16H14O6.C15H18O6.2C11H12O6.C10H12N2O6.2C10H10O6/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;16-12-5-10(6-13(17)20-12)8-1-3-9(4-2-8)11-7-14(18)21-15(11)19;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;13-7-3-11(4-8(14)17-7)1-2-12-5-9(15)18-10(16)6-12;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;8-11H,1-7H2;6-7H,1-5H2;4-7H,3H2,1-2H3;1-6H2;3-4H2,1-2H3;5-6H,1-4H2.
What are the key properties of 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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 2093.92 g/mol, XLogP of 2.73, 15 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-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;4-[4-(2,5-dioxooxolan-3-yl)cyclohexyl]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 161440098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).