lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide

C194H225Br2LiO25 — CID 159432450

IUPAClithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide
SMILESC.C=Cc1ccc(C(=O)OCC)cc1.CC(C)=C1CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)O)cc3)cc21.CC(C)=C1CCC(C)(C)c2ccc(Br)cc21.CC1(C)CCC(=O)c2cc(Br)ccc21.CCOC(=O)/C=C1\CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21.CCOC(=O)CC1(O)CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21.CCOC(=O)CC1=CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21.CCOC(=O)c1ccc(/C=C/c2ccc3c(c2)C(=C(C)C)CCC3(C)C)cc1.CCOC(=O)c1ccc(/C=C/c2ccc3c(c2)C(=O)CCC3(C)C)cc1.CO.[Li+].[OH-]
InChIInChI=1S/C27H32O5.2C27H30O4.C26H30O2.C24H26O2.C23H24O3.C15H19Br.C12H13BrO.C11H12O2.CH4O.CH4.Li.H2O/c1-5-31-24(28)18-27(30)16-15-26(3,4)22-14-11-20(17-23(22)27)8-7-19-9-12-21(13-10-19)25(29)32-6-2;2*1-5-30-25(28)18-22-15-16-27(3,4)24-14-11-20(17-23(22)24)8-7-19-9-12-21(13-10-19)26(29)31-6-2;1-6-28-25(27)21-12-9-19(10-13-21)7-8-20-11-14-24-23(17-20)22(18(2)3)15-16-26(24,4)5;1-16(2)20-13-14-24(3,4)22-12-9-18(15-21(20)22)6-5-17-7-10-19(11-8-17)23(25)26;1-4-26-22(25)18-10-7-16(8-11-18)5-6-17-9-12-20-19(15-17)21(24)13-14-23(20,2)3;1-10(2)12-7-8-15(3,4)14-6-5-11(16)9-13(12)14;1-12(2)6-5-11(14)9-7-8(13)3-4-10(9)12;1-3-9-5-7-10(8-6-9)11(12)13-4-2;1-2;;;/h7-14,17,30H,5-6,15-16,18H2,1-4H3;7-14,17-18H,5-6,15-16H2,1-4H3;7-15,17H,5-6,16,18H2,1-4H3;7-14,17H,6,15-16H2,1-5H3;5-12,15H,13-14H2,1-4H3,(H,25,26);5-12,15H,4,13-14H2,1-3H3;5-6,9H,7-8H2,1-4H3;3-4,7H,5-6H2,1-2H3;3,5-8H,1,4H2,2H3;2H,1H3;1H4;;1H2/q;;;;;;;;;;;+1;/p-1/b8-7+;8-7+,22-18+;2*8-7+;2*6-5+;;;;;;;
InChIKeyLRDRGLSMVZCQFT-ZLKOEVNGSA-M
MW3123.66 g/mol
LogP44.55
Rot. Bonds34

About lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide

lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide (PubChem CID 159432450) has the molecular formula C194H225Br2LiO25 and a molecular weight of 3123.66 g/mol. Its IUPAC name is lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide.

Molecular Properties

Compound Namelithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide
PubChem CID159432450
Molecular FormulaC194H225Br2LiO25
Molecular Weight3123.66 g/mol
Exact Mass3119.49
IUPAC Namelithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide
SMILESC.C=Cc1ccc(C(=O)OCC)cc1.CC(C)=C1CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)O)cc3)cc21.CC(C)=C1CCC(C)(C)c2ccc(Br)cc21.CC1(C)CCC(=O)c2cc(Br)ccc21.CCOC(=O)/C=C1\CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21.CCOC(=O)CC1(O)CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21.CCOC(=O)CC1=CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21.CCOC(=O)c1ccc(/C=C/c2ccc3c(c2)C(=C(C)C)CCC3(C)C)cc1.CCOC(=O)c1ccc(/C=C/c2ccc3c(c2)C(=O)CCC3(C)C)cc1.CO.[Li+].[OH-]
InChIInChI=1S/C27H32O5.2C27H30O4.C26H30O2.C24H26O2.C23H24O3.C15H19Br.C12H13BrO.C11H12O2.CH4O.CH4.Li.H2O/c1-5-31-24(28)18-27(30)16-15-26(3,4)22-14-11-20(17-23(22)27)8-7-19-9-12-21(13-10-19)25(29)32-6-2;2*1-5-30-25(28)18-22-15-16-27(3,4)24-14-11-20(17-23(22)24)8-7-19-9-12-21(13-10-19)26(29)31-6-2;1-6-28-25(27)21-12-9-19(10-13-21)7-8-20-11-14-24-23(17-20)22(18(2)3)15-16-26(24,4)5;1-16(2)20-13-14-24(3,4)22-12-9-18(15-21(20)22)6-5-17-7-10-19(11-8-17)23(25)26;1-4-26-22(25)18-10-7-16(8-11-18)5-6-17-9-12-20-19(15-17)21(24)13-14-23(20,2)3;1-10(2)12-7-8-15(3,4)14-6-5-11(16)9-13(12)14;1-12(2)6-5-11(14)9-7-8(13)3-4-10(9)12;1-3-9-5-7-10(8-6-9)11(12)13-4-2;1-2;;;/h7-14,17,30H,5-6,15-16,18H2,1-4H3;7-14,17-18H,5-6,15-16H2,1-4H3;7-15,17H,5-6,16,18H2,1-4H3;7-14,17H,6,15-16H2,1-5H3;5-12,15H,13-14H2,1-4H3,(H,25,26);5-12,15H,4,13-14H2,1-3H3;5-6,9H,7-8H2,1-4H3;3-4,7H,5-6H2,1-2H3;3,5-8H,1,4H2,2H3;2H,1H3;1H4;;1H2/q;;;;;;;;;;;+1;/p-1/b8-7+;8-7+,22-18+;2*8-7+;2*6-5+;;;;;;;
InChIKeyLRDRGLSMVZCQFT-ZLKOEVNGSA-M
XLogP44.55
TPSA378.60 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003123.66
LogP ≤ 544.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide?
The IUPAC name of lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide (CID 159432450) is lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide.
What is the SMILES notation for lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide?
The canonical SMILES for lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide is C.C=Cc1ccc(C(=O)OCC)cc1.CC(C)=C1CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)O)cc3)cc21.CC(C)=C1CCC(C)(C)c2ccc(Br)cc21.CC1(C)CCC(=O)c2cc(Br)ccc21.CCOC(=O)/C=C1\CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21.CCOC(=O)CC1(O)CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21.CCOC(=O)CC1=CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21.CCOC(=O)c1ccc(/C=C/c2ccc3c(c2)C(=C(C)C)CCC3(C)C)cc1.CCOC(=O)c1ccc(/C=C/c2ccc3c(c2)C(=O)CCC3(C)C)cc1.CO.[Li+].[OH-].
What is the InChIKey of lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide?
The InChIKey is LRDRGLSMVZCQFT-ZLKOEVNGSA-M. The full InChI is InChI=1S/C27H32O5.2C27H30O4.C26H30O2.C24H26O2.C23H24O3.C15H19Br.C12H13BrO.C11H12O2.CH4O.CH4.Li.H2O/c1-5-31-24(28)18-27(30)16-15-26(3,4)22-14-11-20(17-23(22)27)8-7-19-9-12-21(13-10-19)25(29)32-6-2;2*1-5-30-25(28)18-22-15-16-27(3,4)24-14-11-20(17-23(22)24)8-7-19-9-12-21(13-10-19)26(29)31-6-2;1-6-28-25(27)21-12-9-19(10-13-21)7-8-20-11-14-24-23(17-20)22(18(2)3)15-16-26(24,4)5;1-16(2)20-13-14-24(3,4)22-12-9-18(15-21(20)22)6-5-17-7-10-19(11-8-17)23(25)26;1-4-26-22(25)18-10-7-16(8-11-18)5-6-17-9-12-20-19(15-17)21(24)13-14-23(20,2)3;1-10(2)12-7-8-15(3,4)14-6-5-11(16)9-13(12)14;1-12(2)6-5-11(14)9-7-8(13)3-4-10(9)12;1-3-9-5-7-10(8-6-9)11(12)13-4-2;1-2;;;/h7-14,17,30H,5-6,15-16,18H2,1-4H3;7-14,17-18H,5-6,15-16H2,1-4H3;7-15,17H,5-6,16,18H2,1-4H3;7-14,17H,6,15-16H2,1-5H3;5-12,15H,13-14H2,1-4H3,(H,25,26);5-12,15H,4,13-14H2,1-3H3;5-6,9H,7-8H2,1-4H3;3-4,7H,5-6H2,1-2H3;3,5-8H,1,4H2,2H3;2H,1H3;1H4;;1H2/q;;;;;;;;;;;+1;/p-1/b8-7+;8-7+,22-18+;2*8-7+;2*6-5+;;;;;;;.
What are the key properties of lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide?
lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide has a molecular weight of 3123.66 g/mol, XLogP of 44.55, 34 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;6-bromo-1,1-dimethyl-4-propan-2-ylidene-2,3-dihydronaphthalene;4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylidene-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;ethyl 4-ethenylbenzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;ethyl 4-[(E)-2-[(8E)-8-(2-ethoxy-2-oxoethylidene)-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate;methane;methanol;hydroxide is sourced from PubChem (CID 159432450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).