[aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid

C80H58F18N8O22Si2 — CID 123848486

About [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid

[aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid (PubChem CID 123848486) has the molecular formula C80H58F18N8O22Si2 and a molecular weight of 1881.51 g/mol. Its IUPAC name is [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid.

Molecular Properties

• Compound Name: [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid
• PubChem CID: 123848486
• Molecular Formula: C80H58F18N8O22Si2
• Molecular Weight: 1881.51 g/mol
• Exact Mass: 1880.29
• IUPAC Name: [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid
• SMILES: C[Si](C)(CN)OCN.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(CO[Si](C)(C)CN4C(=O)c6ccc(C(c7ccc8c(c7)C(=O)NC8=O)(C(F)(F)F)C(F)(F)F)cc6C4=O)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1O.Nc1cc(C(=O)O)cc(N)c1O.O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21
• InChI: InChI=1S/C50H30F12N4O12Si.C19H6F6O6.C7H8N2O3.C4H14N2OSi/c1-20-12-21(44(76)77)13-34(35(20)67)66-42(74)29-11-7-25(17-33(29)43(66)75)46(49(57,58)59,50(60,61)62)23-5-9-27-31(15-23)40(72)64(38(27)70)18-78-79(2,3)19-65-39(71)28-10-6-24(16-32(28)41(65)73)45(47(51,52)53,48(54,55)56)22-4-8-26-30(14-22)37(69)63-36(26)68;20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27;8-4-1-3(7(11)12)2-5(9)6(4)10;1-8(2,4-6)7-3-5/h4-17,67H,18-19H2,1-3H3,(H,76,77)(H,63,68,69);1-6H;1-2,10H,8-9H2,(H,11,12);3-6H2,1-2H3
• InChIKey: FEVWWDBALJFNBK-UHFFFAOYSA-N
• XLogP: 12.11
• TPSA: 482.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1881.51
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid?

The IUPAC name of [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid (CID 123848486) is [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid.

What is the SMILES notation for [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid?

The canonical SMILES for [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid is C[Si](C)(CN)OCN.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(CO[Si](C)(C)CN4C(=O)c6ccc(C(c7ccc8c(c7)C(=O)NC8=O)(C(F)(F)F)C(F)(F)F)cc6C4=O)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1O.Nc1cc(C(=O)O)cc(N)c1O.O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21.

What is the InChIKey of [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid?

The InChIKey is FEVWWDBALJFNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30F12N4O12Si.C19H6F6O6.C7H8N2O3.C4H14N2OSi/c1-20-12-21(44(76)77)13-34(35(20)67)66-42(74)29-11-7-25(17-33(29)43(66)75)46(49(57,58)59,50(60,61)62)23-5-9-27-31(15-23)40(72)64(38(27)70)18-78-79(2,3)19-65-39(71)28-10-6-24(16-32(28)41(65)73)45(47(51,52)53,48(54,55)56)22-4-8-26-30(14-22)37(69)63-36(26)68;20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27;8-4-1-3(7(11)12)2-5(9)6(4)10;1-8(2,4-6)7-3-5/h4-17,67H,18-19H2,1-3H3,(H,76,77)(H,63,68,69);1-6H;1-2,10H,8-9H2,(H,11,12);3-6H2,1-2H3.

What are the key properties of [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid?

[aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid has a molecular weight of 1881.51 g/mol, XLogP of 12.11, 17 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [aminomethyl(dimethyl)silyl]oxymethanamine;3,5-diamino-4-hydroxybenzoic acid;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;3-[5-[2-[2-[[[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid is sourced from PubChem (CID 123848486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).