butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid

C278H416Co7N14O39 — CID 159616889

IUPACbutanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid
SMILESCC(=O)CCCCC(=O)O.CC(=O)CCCCCC(=O)O.CC(=O)CCCCCCC(=O)O.CC(C)(C)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.O=C(O)C(=O)O.O=C(O)CC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O.[Co].[Co].[Co].[Co].[Co].[Co].[Co]
InChIInChI=1S/3C36H54N2O2.4C33H48N2O2.C9H16O3.C8H14O3.C7H12O3.C5H8O4.C4H6O4.C3H4O4.C2H2O4.7Co/c3*1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;4*1-21-15-22(29(36)25(16-21)32(5,6)7)19-34-27-13-11-12-14-28(27)35-20-23-17-24(31(2,3)4)18-26(30(23)37)33(8,9)10;1-8(10)6-4-2-3-5-7-9(11)12;1-7(9)5-3-2-4-6-8(10)11;1-6(8)4-2-3-5-7(9)10;6-4(7)2-1-3-5(8)9;5-3(6)1-2-4(7)8;4-2(5)1-3(6)7;3-1(4)2(5)6;;;;;;;/h3*17-22,29-30,39-40H,13-16H2,1-12H3;4*15-20,27-28,36-37H,11-14H2,1-10H3;2-7H2,1H3,(H,11,12);2-6H2,1H3,(H,10,11);2-5H2,1H3,(H,9,10);1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);1H2,(H,4,5)(H,6,7);(H,3,4)(H,5,6);;;;;;;/b3*37-21+,38-22+;4*34-19+,35-20+;;;;;;;;;;;;;;
InChIKeyXSRVLDVUPKWZBP-BJAHDQNQSA-N
MW4990.98 g/mol
LogP63.78
Rot. Bonds55

About butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid

butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid (PubChem CID 159616889) has the molecular formula C278H416Co7N14O39 and a molecular weight of 4990.98 g/mol. Its IUPAC name is butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid.

Molecular Properties

Compound Namebutanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid
PubChem CID159616889
Molecular FormulaC278H416Co7N14O39
Molecular Weight4990.98 g/mol
Exact Mass4987.63
IUPAC Namebutanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid
SMILESCC(=O)CCCCC(=O)O.CC(=O)CCCCCC(=O)O.CC(=O)CCCCCCC(=O)O.CC(C)(C)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.O=C(O)C(=O)O.O=C(O)CC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O.[Co].[Co].[Co].[Co].[Co].[Co].[Co]
InChIInChI=1S/3C36H54N2O2.4C33H48N2O2.C9H16O3.C8H14O3.C7H12O3.C5H8O4.C4H6O4.C3H4O4.C2H2O4.7Co/c3*1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;4*1-21-15-22(29(36)25(16-21)32(5,6)7)19-34-27-13-11-12-14-28(27)35-20-23-17-24(31(2,3)4)18-26(30(23)37)33(8,9)10;1-8(10)6-4-2-3-5-7-9(11)12;1-7(9)5-3-2-4-6-8(10)11;1-6(8)4-2-3-5-7(9)10;6-4(7)2-1-3-5(8)9;5-3(6)1-2-4(7)8;4-2(5)1-3(6)7;3-1(4)2(5)6;;;;;;;/h3*17-22,29-30,39-40H,13-16H2,1-12H3;4*15-20,27-28,36-37H,11-14H2,1-10H3;2-7H2,1H3,(H,11,12);2-6H2,1H3,(H,10,11);2-5H2,1H3,(H,9,10);1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);1H2,(H,4,5)(H,6,7);(H,3,4)(H,5,6);;;;;;;/b3*37-21+,38-22+;4*34-19+,35-20+;;;;;;;;;;;;;;
InChIKeyXSRVLDVUPKWZBP-BJAHDQNQSA-N
XLogP63.78
TPSA917.77 Ų
H-Bond Donors25
H-Bond Acceptors42
Rotatable Bonds55
Heavy Atoms338
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004990.98
LogP ≤ 563.78
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1042

Analyze butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid with MolForge

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Related Compounds

cobalt(2+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;diacetate
CID 173167408
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
bis[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] heptanedioate
CID 136908585
cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate
CID 159447918
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 146161249
cobalt(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;triiodide
CID 173086543
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
CID 170923546
cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid
CID 161358978
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium
CID 136664418
2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol
CID 139177588
2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol
CID 137246755

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid?
The IUPAC name of butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid (CID 159616889) is butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid.
What is the SMILES notation for butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid?
The canonical SMILES for butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid is CC(=O)CCCCC(=O)O.CC(=O)CCCCCC(=O)O.CC(=O)CCCCCCC(=O)O.CC(C)(C)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.O=C(O)C(=O)O.O=C(O)CC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O.[Co].[Co].[Co].[Co].[Co].[Co].[Co].
What is the InChIKey of butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid?
The InChIKey is XSRVLDVUPKWZBP-BJAHDQNQSA-N. The full InChI is InChI=1S/3C36H54N2O2.4C33H48N2O2.C9H16O3.C8H14O3.C7H12O3.C5H8O4.C4H6O4.C3H4O4.C2H2O4.7Co/c3*1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;4*1-21-15-22(29(36)25(16-21)32(5,6)7)19-34-27-13-11-12-14-28(27)35-20-23-17-24(31(2,3)4)18-26(30(23)37)33(8,9)10;1-8(10)6-4-2-3-5-7-9(11)12;1-7(9)5-3-2-4-6-8(10)11;1-6(8)4-2-3-5-7(9)10;6-4(7)2-1-3-5(8)9;5-3(6)1-2-4(7)8;4-2(5)1-3(6)7;3-1(4)2(5)6;;;;;;;/h3*17-22,29-30,39-40H,13-16H2,1-12H3;4*15-20,27-28,36-37H,11-14H2,1-10H3;2-7H2,1H3,(H,11,12);2-6H2,1H3,(H,10,11);2-5H2,1H3,(H,9,10);1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);1H2,(H,4,5)(H,6,7);(H,3,4)(H,5,6);;;;;;;/b3*37-21+,38-22+;4*34-19+,35-20+;;;;;;;;;;;;;;.
What are the key properties of butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid?
butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid has a molecular weight of 4990.98 g/mol, XLogP of 63.78, 55 rotatable bonds, 25 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;tetrakis(2-tert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol);cobalt;tris(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol);oxalic acid;6-oxoheptanoic acid;8-oxononanoic acid;7-oxooctanoic acid;pentanedioic acid;propanedioic acid is sourced from PubChem (CID 159616889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).