magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride

C57H91ClMgO4 — CID 160515882

IUPACmagnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride
SMILESCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(C)c(OC)c(OC)c(OC)c1OC.[CH2-]/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.[Cl-].[Mg+2]
InChIInChI=1S/C37H58O4.C20H33.ClH.Mg/c1-12-27(2)17-13-18-28(3)19-14-20-29(4)21-15-22-30(5)23-16-24-31(6)25-26-33-32(7)34(38-8)36(40-10)37(41-11)35(33)39-9;1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3;;/h17,19,21,23,25H,12-16,18,20,22,24,26H2,1-11H3;7,11,14-15H,1,8-10,12-13,16H2,2-6H3;1H;/q;-1;;+2/p-1/b27-17+,28-19+,29-21+,30-23+,31-25+;18-7+,19-15+,20-14+;;
InChIKeyKTEPFEVASVARSS-WUJDVJFVSA-M
MW900.11 g/mol
LogP14.42
Rot. Bonds28

About magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride

magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride (PubChem CID 160515882) has the molecular formula C57H91ClMgO4 and a molecular weight of 900.11 g/mol. Its IUPAC name is magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride.

Molecular Properties

Compound Namemagnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride
PubChem CID160515882
Molecular FormulaC57H91ClMgO4
Molecular Weight900.11 g/mol
Exact Mass898.65
IUPAC Namemagnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride
SMILESCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(C)c(OC)c(OC)c(OC)c1OC.[CH2-]/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.[Cl-].[Mg+2]
InChIInChI=1S/C37H58O4.C20H33.ClH.Mg/c1-12-27(2)17-13-18-28(3)19-14-20-29(4)21-15-22-30(5)23-16-24-31(6)25-26-33-32(7)34(38-8)36(40-10)37(41-11)35(33)39-9;1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3;;/h17,19,21,23,25H,12-16,18,20,22,24,26H2,1-11H3;7,11,14-15H,1,8-10,12-13,16H2,2-6H3;1H;/q;-1;;+2/p-1/b27-17+,28-19+,29-21+,30-23+,31-25+;18-7+,19-15+,20-14+;;
InChIKeyKTEPFEVASVARSS-WUJDVJFVSA-M
XLogP14.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.11
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride with MolForge

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Related Compounds

1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
CID 89245870
[4-butanoyloxy-5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-2,3-dimethoxy-6-methylphenyl] butanoate
CID 134474929
2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,4-diol
CID 10992743
2-[(2Z,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 175646711
2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 164890062
2-[(2E,6E,10E,14E,18Z,22Z)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 66563646
2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,4-diol
CID 85358878
5-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-3-methoxy-6-methylbenzene-1,2,4-triol
CID 25203764
2-[(2E,6Z,10E,14Z,18E,22E,26E,30E,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 163183422
magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide
CID 58409825
2-amino-3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]benzene-1,4-diol
CID 134160348
1-[(E)-4-chloro-3-methylbut-2-enyl]-2,3,4,5-tetramethoxy-6-methylbenzene
CID 14852324

Frequently Asked Questions

What is the IUPAC name of magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride?
The IUPAC name of magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride (CID 160515882) is magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride.
What is the SMILES notation for magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride?
The canonical SMILES for magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride is CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(C)c(OC)c(OC)c(OC)c1OC.[CH2-]/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride?
The InChIKey is KTEPFEVASVARSS-WUJDVJFVSA-M. The full InChI is InChI=1S/C37H58O4.C20H33.ClH.Mg/c1-12-27(2)17-13-18-28(3)19-14-20-29(4)21-15-22-30(5)23-16-24-31(6)25-26-33-32(7)34(38-8)36(40-10)37(41-11)35(33)39-9;1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3;;/h17,19,21,23,25H,12-16,18,20,22,24,26H2,1-11H3;7,11,14-15H,1,8-10,12-13,16H2,2-6H3;1H;/q;-1;;+2/p-1/b27-17+,28-19+,29-21+,30-23+,31-25+;18-7+,19-15+,20-14+;;.
What are the key properties of magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride?
magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride has a molecular weight of 900.11 g/mol, XLogP of 14.42, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride is sourced from PubChem (CID 160515882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).