4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione

C144H137N7O32 — CID 158968822

About 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione

4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione (PubChem CID 158968822) has the molecular formula C144H137N7O32 and a molecular weight of 2477.70 g/mol. Its IUPAC name is 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione
• PubChem CID: 158968822
• Molecular Formula: C144H137N7O32
• Molecular Weight: 2477.70 g/mol
• Exact Mass: 2475.93
• IUPAC Name: 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3cccc(OC(=O)COC)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OC(=O)c4ccco4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OC(C)C)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OC)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCC(C)(C)C)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCCc4ccccc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)c3C2=O)C(=O)C1
• InChI: InChI=1S/C27H23NO4.C24H23NO4.C21H25NO4.C20H15NO6.C18H17NO6.C18H19NO4.C16H15NO4/c1-17-9-12-22(23(29)15-17)28-26(30)21-7-4-8-24(25(21)27(28)31)32-14-13-18-10-11-19-5-2-3-6-20(19)16-18;1-16-12-13-19(20(26)15-16)25-23(27)18-10-5-11-21(22(18)24(25)28)29-14-6-9-17-7-3-2-4-8-17;1-13-8-9-15(16(23)12-13)22-19(24)14-6-5-7-17(18(14)20(22)25)26-11-10-21(2,3)4;1-11-7-8-13(14(22)10-11)21-18(23)12-4-2-5-15(17(12)19(21)24)27-20(25)16-6-3-9-26-16;1-10-6-7-12(13(20)8-10)19-17(22)11-4-3-5-14(16(11)18(19)23)25-15(21)9-24-2;1-10(2)23-15-6-4-5-12-16(15)18(22)19(17(12)21)13-8-7-11(3)9-14(13)20;1-9-6-7-11(12(18)8-9)17-15(19)10-4-3-5-13(21-2)14(10)16(17)20/h2-8,10-11,16,22H,1,9,12-15H2;2-5,7-8,10-11,19H,1,6,9,12-15H2;5-7,15H,1,8-12H2,2-4H3;2-6,9,13H,1,7-8,10H2;3-5,12H,1,6-9H2,2H3;4-6,10,13H,3,7-9H2,1-2H3;3-5,11H,1,6-8H2,2H3
• InChIKey: JNNVXERCKLPBET-UHFFFAOYSA-N
• XLogP: 21.48
• TPSA: 502.27 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2477.70
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione?

The IUPAC name of 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione (CID 158968822) is 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione.

What is the SMILES notation for 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione?

The canonical SMILES for 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(OC(=O)COC)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OC(=O)c4ccco4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OC(C)C)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OC)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCC(C)(C)C)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCCc4ccccc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)c3C2=O)C(=O)C1.

What is the InChIKey of 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione?

The InChIKey is JNNVXERCKLPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4.C24H23NO4.C21H25NO4.C20H15NO6.C18H17NO6.C18H19NO4.C16H15NO4/c1-17-9-12-22(23(29)15-17)28-26(30)21-7-4-8-24(25(21)27(28)31)32-14-13-18-10-11-19-5-2-3-6-20(19)16-18;1-16-12-13-19(20(26)15-16)25-23(27)18-10-5-11-21(22(18)24(25)28)29-14-6-9-17-7-3-2-4-8-17;1-13-8-9-15(16(23)12-13)22-19(24)14-6-5-7-17(18(14)20(22)25)26-11-10-21(2,3)4;1-11-7-8-13(14(22)10-11)21-18(23)12-4-2-5-15(17(12)19(21)24)27-20(25)16-6-3-9-26-16;1-10-6-7-12(13(20)8-10)19-17(22)11-4-3-5-14(16(11)18(19)23)25-15(21)9-24-2;1-10(2)23-15-6-4-5-12-16(15)18(22)19(17(12)21)13-8-7-11(3)9-14(13)20;1-9-6-7-11(12(18)8-9)17-15(19)10-4-3-5-13(21-2)14(10)16(17)20/h2-8,10-11,16,22H,1,9,12-15H2;2-5,7-8,10-11,19H,1,6,9,12-15H2;5-7,15H,1,8-12H2,2-4H3;2-6,9,13H,1,7-8,10H2;3-5,12H,1,6-9H2,2H3;4-6,10,13H,3,7-9H2,1-2H3;3-5,11H,1,6-8H2,2H3.

What are the key properties of 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione?

4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione has a molecular weight of 2477.70 g/mol, XLogP of 21.48, 27 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,3-dimethylbutoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-methoxy-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] furan-2-carboxylate;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(3-phenylpropoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-propan-2-yloxyisoindole-1,3-dione is sourced from PubChem (CID 158968822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).