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

C67H62O24 — CID 158006292

IUPAC4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione
SMILESCC1(CC2(C)CC(=O)OC2=O)CC(=O)OC1=O.CC1(c2ccc(C3(C)CC(=O)OC(=O)C3)cc2)CC(=O)OC(=O)C1.O=C1CC(c2ccc(-c3ccc(C4CC(=O)OC(=O)C4)cc3)cc2)CC(=O)O1.O=C1CC(c2ccc(C3CC(=O)OC(=O)C3)cc2)CC(=O)O1
InChIInChI=1S/C22H18O6.C18H18O6.C16H14O6.C11H12O6/c23-19-9-17(10-20(24)27-19)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18-11-21(25)28-22(26)12-18;1-17(7-13(19)23-14(20)8-17)11-3-5-12(6-4-11)18(2)9-15(21)24-16(22)10-18;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;1-10(3-6(12)16-8(10)14)5-11(2)4-7(13)17-9(11)15/h1-8,17-18H,9-12H2;3-6H,7-10H2,1-2H3;1-4,11-12H,5-8H2;3-5H2,1-2H3
InChIKeyFEIHBKISKHAKCA-UHFFFAOYSA-N
MW1251.21 g/mol
LogP7.09
Rot. Bonds9

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

4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione (PubChem CID 158006292) has the molecular formula C67H62O24 and a molecular weight of 1251.21 g/mol. Its IUPAC name is 4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione.

Molecular Properties

Compound Name4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione
PubChem CID158006292
Molecular FormulaC67H62O24
Molecular Weight1251.21 g/mol
Exact Mass1250.36
IUPAC Name4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione
SMILESCC1(CC2(C)CC(=O)OC2=O)CC(=O)OC1=O.CC1(c2ccc(C3(C)CC(=O)OC(=O)C3)cc2)CC(=O)OC(=O)C1.O=C1CC(c2ccc(-c3ccc(C4CC(=O)OC(=O)C4)cc3)cc2)CC(=O)O1.O=C1CC(c2ccc(C3CC(=O)OC(=O)C3)cc2)CC(=O)O1
InChIInChI=1S/C22H18O6.C18H18O6.C16H14O6.C11H12O6/c23-19-9-17(10-20(24)27-19)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18-11-21(25)28-22(26)12-18;1-17(7-13(19)23-14(20)8-17)11-3-5-12(6-4-11)18(2)9-15(21)24-16(22)10-18;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;1-10(3-6(12)16-8(10)14)5-11(2)4-7(13)17-9(11)15/h1-8,17-18H,9-12H2;3-6H,7-10H2,1-2H3;1-4,11-12H,5-8H2;3-5H2,1-2H3
InChIKeyFEIHBKISKHAKCA-UHFFFAOYSA-N
XLogP7.09
TPSA346.96 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001251.21
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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

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Related Compounds

4-[4-[4-(2-methylidene-6-oxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione
CID 58472036
4-(4-ethylphenyl)oxane-2,6-dione
CID 82127294
4-methyl-4-[4-(1-methyl-3,5-dioxocyclohexyl)phenyl]oxane-2,6-dione
CID 89182206
4-(4-tert-butylphenyl)oxane-2,6-dione
CID 11043043
3-methyl-3-propyloxolane-2,5-dione
CID 43134896
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
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-[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 158835242
3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
CID 158754537
3-(methoxymethyl)-3-methyloxolane-2,5-dione
CID 62535448
(3R)-3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
CID 94840979
3-methyl-3-undecyloxolane-2,5-dione
CID 139886966
4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione
CID 161134720

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione?
The IUPAC name of 4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione (CID 158006292) is 4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione.
What is the SMILES notation for 4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione?
The canonical SMILES for 4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione is CC1(CC2(C)CC(=O)OC2=O)CC(=O)OC1=O.CC1(c2ccc(C3(C)CC(=O)OC(=O)C3)cc2)CC(=O)OC(=O)C1.O=C1CC(c2ccc(-c3ccc(C4CC(=O)OC(=O)C4)cc3)cc2)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)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione?
The InChIKey is FEIHBKISKHAKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6.C18H18O6.C16H14O6.C11H12O6/c23-19-9-17(10-20(24)27-19)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18-11-21(25)28-22(26)12-18;1-17(7-13(19)23-14(20)8-17)11-3-5-12(6-4-11)18(2)9-15(21)24-16(22)10-18;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;1-10(3-6(12)16-8(10)14)5-11(2)4-7(13)17-9(11)15/h1-8,17-18H,9-12H2;3-6H,7-10H2,1-2H3;1-4,11-12H,5-8H2;3-5H2,1-2H3.
What are the key properties of 4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione?
4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione has a molecular weight of 1251.21 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione is sourced from PubChem (CID 158006292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).