lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide

C117H162Br3LiN11O18- — CID 161309864

IUPAClithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide
SMILESBrCCOC1CCCCO1.Brc1ccc2[nH]ccc2c1.C.C.CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1ccc2c(ccn2CCC)c1.CCCC(=O)N(C)OC.CCCC(=O)c1ccc2c(ccn2CCC)c1.CCCn1ccc2cc(-c3[nH]c(=O)c(C(=O)OC)cc3CC)ccc21.CCCn1ccc2cc(Br)ccc21.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CCO)c1.[Li+].[OH-].[OH-]
InChIInChI=1S/C20H22N2O3.C19H28N2.C18H18N2O4.C15H19NO.C11H12BrN.C8H6BrN.C7H13BrO2.C7H10O4.C6H13NO2.C4H11N.2CH4.Li.2H2O/c1-4-9-22-10-8-14-11-15(6-7-17(14)22)18-13(5-2)12-16(19(23)21-18)20(24)25-3;1-6-8-17(20-19(3,4)5)15-9-10-18-16(14-15)11-13-21(18)12-7-2;1-2-11-10-14(18(23)24)17(22)19-16(11)13-3-4-15-12(9-13)5-6-20(15)7-8-21;1-3-5-15(17)13-6-7-14-12(11-13)8-10-16(14)9-4-2;1-2-6-13-7-5-9-8-10(12)3-4-11(9)13;9-7-1-2-8-6(5-7)3-4-10-8;8-4-6-10-7-3-1-2-5-9-7;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)9-3;1-4(2,3)5;;;;;/h6-8,10-12H,4-5,9H2,1-3H3,(H,21,23);9-11,13-14H,6-8,12H2,1-5H3;3-6,9-10,21H,2,7-8H2,1H3,(H,19,22)(H,23,24);6-8,10-11H,3-5,9H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-5,10H;7H,1-6H2;4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;2*1H4;;2*1H2/q;;;;;;;;;;;;+1;;/p-2/b;20-17+;;;;;;;;;;;;;
InChIKeyBPBRHJYILBORSF-LTRLWPBRSA-L
MW2257.29 g/mol
LogP23.90
Rot. Bonds30

About lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide

lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide (PubChem CID 161309864) has the molecular formula C117H162Br3LiN11O18- and a molecular weight of 2257.29 g/mol. Its IUPAC name is lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide.

Molecular Properties

Compound Namelithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide
PubChem CID161309864
Molecular FormulaC117H162Br3LiN11O18-
Molecular Weight2257.29 g/mol
Exact Mass2252.98
IUPAC Namelithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide
SMILESBrCCOC1CCCCO1.Brc1ccc2[nH]ccc2c1.C.C.CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1ccc2c(ccn2CCC)c1.CCCC(=O)N(C)OC.CCCC(=O)c1ccc2c(ccn2CCC)c1.CCCn1ccc2cc(-c3[nH]c(=O)c(C(=O)OC)cc3CC)ccc21.CCCn1ccc2cc(Br)ccc21.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CCO)c1.[Li+].[OH-].[OH-]
InChIInChI=1S/C20H22N2O3.C19H28N2.C18H18N2O4.C15H19NO.C11H12BrN.C8H6BrN.C7H13BrO2.C7H10O4.C6H13NO2.C4H11N.2CH4.Li.2H2O/c1-4-9-22-10-8-14-11-15(6-7-17(14)22)18-13(5-2)12-16(19(23)21-18)20(24)25-3;1-6-8-17(20-19(3,4)5)15-9-10-18-16(14-15)11-13-21(18)12-7-2;1-2-11-10-14(18(23)24)17(22)19-16(11)13-3-4-15-12(9-13)5-6-20(15)7-8-21;1-3-5-15(17)13-6-7-14-12(11-13)8-10-16(14)9-4-2;1-2-6-13-7-5-9-8-10(12)3-4-11(9)13;9-7-1-2-8-6(5-7)3-4-10-8;8-4-6-10-7-3-1-2-5-9-7;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)9-3;1-4(2,3)5;;;;;/h6-8,10-12H,4-5,9H2,1-3H3,(H,21,23);9-11,13-14H,6-8,12H2,1-5H3;3-6,9-10,21H,2,7-8H2,1H3,(H,19,22)(H,23,24);6-8,10-11H,3-5,9H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-5,10H;7H,1-6H2;4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;2*1H4;;2*1H2/q;;;;;;;;;;;;+1;;/p-2/b;20-17+;;;;;;;;;;;;;
InChIKeyBPBRHJYILBORSF-LTRLWPBRSA-L
XLogP23.90
TPSA406.04 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002257.29
LogP ≤ 523.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide?
The IUPAC name of lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide (CID 161309864) is lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide.
What is the SMILES notation for lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide?
The canonical SMILES for lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide is BrCCOC1CCCCO1.Brc1ccc2[nH]ccc2c1.C.C.CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1ccc2c(ccn2CCC)c1.CCCC(=O)N(C)OC.CCCC(=O)c1ccc2c(ccn2CCC)c1.CCCn1ccc2cc(-c3[nH]c(=O)c(C(=O)OC)cc3CC)ccc21.CCCn1ccc2cc(Br)ccc21.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CCO)c1.[Li+].[OH-].[OH-].
What is the InChIKey of lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide?
The InChIKey is BPBRHJYILBORSF-LTRLWPBRSA-L. The full InChI is InChI=1S/C20H22N2O3.C19H28N2.C18H18N2O4.C15H19NO.C11H12BrN.C8H6BrN.C7H13BrO2.C7H10O4.C6H13NO2.C4H11N.2CH4.Li.2H2O/c1-4-9-22-10-8-14-11-15(6-7-17(14)22)18-13(5-2)12-16(19(23)21-18)20(24)25-3;1-6-8-17(20-19(3,4)5)15-9-10-18-16(14-15)11-13-21(18)12-7-2;1-2-11-10-14(18(23)24)17(22)19-16(11)13-3-4-15-12(9-13)5-6-20(15)7-8-21;1-3-5-15(17)13-6-7-14-12(11-13)8-10-16(14)9-4-2;1-2-6-13-7-5-9-8-10(12)3-4-11(9)13;9-7-1-2-8-6(5-7)3-4-10-8;8-4-6-10-7-3-1-2-5-9-7;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)9-3;1-4(2,3)5;;;;;/h6-8,10-12H,4-5,9H2,1-3H3,(H,21,23);9-11,13-14H,6-8,12H2,1-5H3;3-6,9-10,21H,2,7-8H2,1H3,(H,19,22)(H,23,24);6-8,10-11H,3-5,9H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-5,10H;7H,1-6H2;4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;2*1H4;;2*1H2/q;;;;;;;;;;;;+1;;/p-2/b;20-17+;;;;;;;;;;;;;.
What are the key properties of lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide?
lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide has a molecular weight of 2257.29 g/mol, XLogP of 23.90, 30 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide is sourced from PubChem (CID 161309864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).