lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate

C122H143BF3ILiMnN6NaO44S6 — CID 159458675

IUPAClithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate
SMILESCC(C)COC(C)OCC(=O)c1cc2ccc(C=O)cc2s1.CC(C)COC(C)OCC(=O)c1cc2ccc(CO)cc2s1.CC(C)COC(C)ON.CC(C)N(C)C.CCOC(=O)c1cc2ccc(C)cc2s1.CCOC(=O)c1cc2ccc(CO)cc2s1.CCOC(=O)c1cc2ccccc2s1.COC(=O)c1ccc(/C=C/N(C)C)c([N+](=O)[O-])c1.COC(=O)c1ccc(C)c([N+](=O)[O-])c1.COC(=O)c1ccc(C=O)c([N+](=O)[O-])c1.FB(F)F.O=C(O)c1cc2ccc(CO)cc2s1.O=C=O.O=C=O.O=[Mn]=O.[Li+].[Na+].[O-][I+3]([O-])([O-])[O-].[OH-]
InChIInChI=1S/C17H22O4S.C17H20O4S.C12H14N2O4.C12H12O3S.C12H12O2S.C11H10O2S.C10H8O3S.C9H7NO5.C9H9NO4.C6H15NO2.C5H13N.2CO2.BF3.IO4.Li.Mn.Na.H2O.2O/c2*1-11(2)9-20-12(3)21-10-15(19)17-7-14-5-4-13(8-18)6-16(14)22-17;1-13(2)7-6-9-4-5-10(12(15)18-3)8-11(9)14(16)17;1-2-15-12(14)11-6-9-4-3-8(7-13)5-10(9)16-11;1-3-14-12(13)11-7-9-5-4-8(2)6-10(9)15-11;1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10;11-5-6-1-2-7-4-9(10(12)13)14-8(7)3-6;1-15-9(12)6-2-3-7(5-11)8(4-6)10(13)14;1-6-3-4-7(9(11)14-2)5-8(6)10(12)13;1-5(2)4-8-6(3)9-7;1-5(2)6(3)4;2*2-1-3;2-1(3)4;2-1(3,4)5;;;;;;/h4-7,11-12,18H,8-10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;4-8H,1-3H3;3-6,13H,2,7H2,1H3;4-7H,3H2,1-2H3;3-7H,2H2,1H3;1-4,11H,5H2,(H,12,13);2-5H,1H3;3-5H,1-2H3;5-6H,4,7H2,1-3H3;5H,1-4H3;;;;;;;;1H2;;/q;;;;;;;;;;;;;;-1;+1;;+1;;;/p-1/b;;7-6+;;;;;;;;;;;;;;;;;;
InChIKeyNZFUCKCGVRIZRF-XGGFZJJOSA-M
MW2869.46 g/mol
LogP10.87
Rot. Bonds39

About lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate

lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate (PubChem CID 159458675) has the molecular formula C122H143BF3ILiMnN6NaO44S6 and a molecular weight of 2869.46 g/mol. Its IUPAC name is lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate.

Molecular Properties

Compound Namelithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate
PubChem CID159458675
Molecular FormulaC122H143BF3ILiMnN6NaO44S6
Molecular Weight2869.46 g/mol
Exact Mass2867.60
IUPAC Namelithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate
SMILESCC(C)COC(C)OCC(=O)c1cc2ccc(C=O)cc2s1.CC(C)COC(C)OCC(=O)c1cc2ccc(CO)cc2s1.CC(C)COC(C)ON.CC(C)N(C)C.CCOC(=O)c1cc2ccc(C)cc2s1.CCOC(=O)c1cc2ccc(CO)cc2s1.CCOC(=O)c1cc2ccccc2s1.COC(=O)c1ccc(/C=C/N(C)C)c([N+](=O)[O-])c1.COC(=O)c1ccc(C)c([N+](=O)[O-])c1.COC(=O)c1ccc(C=O)c([N+](=O)[O-])c1.FB(F)F.O=C(O)c1cc2ccc(CO)cc2s1.O=C=O.O=C=O.O=[Mn]=O.[Li+].[Na+].[O-][I+3]([O-])([O-])[O-].[OH-]
InChIInChI=1S/C17H22O4S.C17H20O4S.C12H14N2O4.C12H12O3S.C12H12O2S.C11H10O2S.C10H8O3S.C9H7NO5.C9H9NO4.C6H15NO2.C5H13N.2CO2.BF3.IO4.Li.Mn.Na.H2O.2O/c2*1-11(2)9-20-12(3)21-10-15(19)17-7-14-5-4-13(8-18)6-16(14)22-17;1-13(2)7-6-9-4-5-10(12(15)18-3)8-11(9)14(16)17;1-2-15-12(14)11-6-9-4-3-8(7-13)5-10(9)16-11;1-3-14-12(13)11-7-9-5-4-8(2)6-10(9)15-11;1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10;11-5-6-1-2-7-4-9(10(12)13)14-8(7)3-6;1-15-9(12)6-2-3-7(5-11)8(4-6)10(13)14;1-6-3-4-7(9(11)14-2)5-8(6)10(12)13;1-5(2)4-8-6(3)9-7;1-5(2)6(3)4;2*2-1-3;2-1(3)4;2-1(3,4)5;;;;;;/h4-7,11-12,18H,8-10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;4-8H,1-3H3;3-6,13H,2,7H2,1H3;4-7H,3H2,1-2H3;3-7H,2H2,1H3;1-4,11H,5H2,(H,12,13);2-5H,1H3;3-5H,1-2H3;5-6H,4,7H2,1-3H3;5H,1-4H3;;;;;;;;1H2;;/q;;;;;;;;;;;;;;-1;+1;;+1;;;/p-1/b;;7-6+;;;;;;;;;;;;;;;;;;
InChIKeyNZFUCKCGVRIZRF-XGGFZJJOSA-M
XLogP10.87
TPSA766.03 Ų
H-Bond Donors5
H-Bond Acceptors52
Rotatable Bonds39
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002869.46
LogP ≤ 510.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[2-(4-ethoxycarbonyl-2-nitrophenyl)ethenyl]-3-nitrobenzoate
CID 72742113
methyl 6-formyl-1-benzothiophene-2-carboxylate
CID 22012604
bis(carbon dioxide);deuterio(fluoro)methane;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-2-(5-ethyl-2,4-dinitrophenyl)-N,N-dimethylethenamine;5-ethyl-1H-indol-6-amine;ethyl 5-methyl-2,4-dinitrobenzoate;methane;3-methylbenzoic acid;molecular hydrogen
CID 161000435
ethyl 6-amino-5-nitro-1-benzothiophene-2-carboxylate
CID 171374336
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 8013484
(3-methoxycarbonylphenyl)methyl 4-methyl-3-nitrobenzoate
CID 957055
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 7549250
ethyl 4-(2-cyanoethenyl)-3-nitrobenzoate
CID 169484305
butane;ethane;ethyl 4-methyl-3-nitrobenzoate
CID 144857600
ethyl 2-[(4-methyl-3,5-dinitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 108739184
1-(4-methyl-3-nitrophenyl)-3-phenylpropane-1,3-dione
CID 43138906
ethyl N-[5-[(4-methyl-3-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065550

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate?
The IUPAC name of lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate (CID 159458675) is lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate.
What is the SMILES notation for lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate?
The canonical SMILES for lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate is CC(C)COC(C)OCC(=O)c1cc2ccc(C=O)cc2s1.CC(C)COC(C)OCC(=O)c1cc2ccc(CO)cc2s1.CC(C)COC(C)ON.CC(C)N(C)C.CCOC(=O)c1cc2ccc(C)cc2s1.CCOC(=O)c1cc2ccc(CO)cc2s1.CCOC(=O)c1cc2ccccc2s1.COC(=O)c1ccc(/C=C/N(C)C)c([N+](=O)[O-])c1.COC(=O)c1ccc(C)c([N+](=O)[O-])c1.COC(=O)c1ccc(C=O)c([N+](=O)[O-])c1.FB(F)F.O=C(O)c1cc2ccc(CO)cc2s1.O=C=O.O=C=O.O=[Mn]=O.[Li+].[Na+].[O-][I+3]([O-])([O-])[O-].[OH-].
What is the InChIKey of lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate?
The InChIKey is NZFUCKCGVRIZRF-XGGFZJJOSA-M. The full InChI is InChI=1S/C17H22O4S.C17H20O4S.C12H14N2O4.C12H12O3S.C12H12O2S.C11H10O2S.C10H8O3S.C9H7NO5.C9H9NO4.C6H15NO2.C5H13N.2CO2.BF3.IO4.Li.Mn.Na.H2O.2O/c2*1-11(2)9-20-12(3)21-10-15(19)17-7-14-5-4-13(8-18)6-16(14)22-17;1-13(2)7-6-9-4-5-10(12(15)18-3)8-11(9)14(16)17;1-2-15-12(14)11-6-9-4-3-8(7-13)5-10(9)16-11;1-3-14-12(13)11-7-9-5-4-8(2)6-10(9)15-11;1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10;11-5-6-1-2-7-4-9(10(12)13)14-8(7)3-6;1-15-9(12)6-2-3-7(5-11)8(4-6)10(13)14;1-6-3-4-7(9(11)14-2)5-8(6)10(12)13;1-5(2)4-8-6(3)9-7;1-5(2)6(3)4;2*2-1-3;2-1(3)4;2-1(3,4)5;;;;;;/h4-7,11-12,18H,8-10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;4-8H,1-3H3;3-6,13H,2,7H2,1H3;4-7H,3H2,1-2H3;3-7H,2H2,1H3;1-4,11H,5H2,(H,12,13);2-5H,1H3;3-5H,1-2H3;5-6H,4,7H2,1-3H3;5H,1-4H3;;;;;;;;1H2;;/q;;;;;;;;;;;;;;-1;+1;;+1;;;/p-1/b;;7-6+;;;;;;;;;;;;;;;;;;.
What are the key properties of lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate?
lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate has a molecular weight of 2869.46 g/mol, XLogP of 10.87, 39 rotatable bonds, 5 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;bis(carbon dioxide);N,N-dimethylpropan-2-amine;dioxomanganese;ethyl 1-benzothiophene-2-carboxylate;ethyl 6-(hydroxymethyl)-1-benzothiophene-2-carboxylate;ethyl 6-methyl-1-benzothiophene-2-carboxylate;6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid;1-[6-(hydroxymethyl)-1-benzothiophen-2-yl]-2-[1-(2-methylpropoxy)ethoxy]ethanone;methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate;methyl 4-formyl-3-nitrobenzoate;methyl 4-methyl-3-nitrobenzoate;2-[2-[1-(2-methylpropoxy)ethoxy]acetyl]-1-benzothiophene-6-carbaldehyde;O-[1-(2-methylpropoxy)ethyl]hydroxylamine;trifluoroborane;hydroxide;periodate is sourced from PubChem (CID 159458675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).