3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium

C59H70F3N2O10PY-2 — CID 160521884

About 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium

3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium (PubChem CID 160521884) has the molecular formula C59H70F3N2O10PY-2 and a molecular weight of 1144.09 g/mol. Its IUPAC name is 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium.

Molecular Properties

• Compound Name: 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium
• PubChem CID: 160521884
• Molecular Formula: C59H70F3N2O10PY-2
• Molecular Weight: 1144.09 g/mol
• Exact Mass: 1143.38
• IUPAC Name: 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium
• SMILES: C.C.C=C(C)C(=O)OCCOC(=O)c1cc(C)cc(C)c1.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)cc(C(=O)O)c1.[PH-2].[Y]
• InChI: InChI=1S/C21H15F3N2O4.C15H18O4.C12H18.C9H10O2.2CH4.HP.Y/c1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-10(2)14(16)18-5-6-19-15(17)13-8-11(3)7-12(4)9-13;1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-3-7(2)5-8(4-6)9(10)11;;;;/h4-9H,1-3H3;7-9H,1,5-6H2,2-4H3;1-6H3;3-5H,1-2H3,(H,10,11);2*1H4;1H;/q;;;;;;-2
• InChIKey: QUJNGZHUPOXTFI-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 164.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1144.09
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium?

The IUPAC name of 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium (CID 160521884) is 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium.

What is the SMILES notation for 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium?

The canonical SMILES for 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium is C.C.C=C(C)C(=O)OCCOC(=O)c1cc(C)cc(C)c1.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)cc(C(=O)O)c1.[PH-2].[Y].

What is the InChIKey of 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium?

The InChIKey is QUJNGZHUPOXTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4.C15H18O4.C12H18.C9H10O2.2CH4.HP.Y/c1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-10(2)14(16)18-5-6-19-15(17)13-8-11(3)7-12(4)9-13;1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-3-7(2)5-8(4-6)9(10)11;;;;/h4-9H,1-3H3;7-9H,1,5-6H2,2-4H3;1-6H3;3-5H,1-2H3,(H,10,11);2*1H4;1H;/q;;;;;;-2;.

What are the key properties of 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium?

3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium has a molecular weight of 1144.09 g/mol, XLogP of 12.99, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethylbenzoic acid;1,2,3,4,5,6-hexamethylbenzene;methane;2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;phosphorus(2-) monohydride;yttrium is sourced from PubChem (CID 160521884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).