magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide

C96H140Br2MgO4 — CID 161293164

IUPACmagnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CBr.COc1[c-]c(C)c(OC)c2ccccc12.COc1c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(OC)c2ccccc12.[Br-].[Mg+2]
InChIInChI=1S/C48H70O2.C35H57Br.C13H13O2.BrH.Mg/c1-36(2)20-14-21-37(3)22-15-23-38(4)24-16-25-39(5)26-17-27-40(6)28-18-29-41(7)30-19-31-42(8)34-35-44-43(9)47(49-10)45-32-12-13-33-46(45)48(44)50-11;1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-36;1-9-8-12(14-2)10-6-4-5-7-11(10)13(9)15-3;;/h12-13,20,22,24,26,28,30,32-34H,14-19,21,23,25,27,29,31,35H2,1-11H3;15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3;4-7H,1-3H3;1H;/q;;-1;;+2/p-1/b37-22+,38-24+,39-26+,40-28+,41-30+,42-34+;30-17+,31-19+,32-21+,33-23+,34-25+,35-27+;;;
InChIKeyFUWYYNFEQNCEGN-OQDHNPERSA-M
MW1542.28 g/mol
LogP27.33
Rot. Bonds43

About magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide

magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide (PubChem CID 161293164) has the molecular formula C96H140Br2MgO4 and a molecular weight of 1542.28 g/mol. Its IUPAC name is magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide.

Molecular Properties

Compound Namemagnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide
PubChem CID161293164
Molecular FormulaC96H140Br2MgO4
Molecular Weight1542.28 g/mol
Exact Mass1538.90
IUPAC Namemagnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CBr.COc1[c-]c(C)c(OC)c2ccccc12.COc1c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(OC)c2ccccc12.[Br-].[Mg+2]
InChIInChI=1S/C48H70O2.C35H57Br.C13H13O2.BrH.Mg/c1-36(2)20-14-21-37(3)22-15-23-38(4)24-16-25-39(5)26-17-27-40(6)28-18-29-41(7)30-19-31-42(8)34-35-44-43(9)47(49-10)45-32-12-13-33-46(45)48(44)50-11;1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-36;1-9-8-12(14-2)10-6-4-5-7-11(10)13(9)15-3;;/h12-13,20,22,24,26,28,30,32-34H,14-19,21,23,25,27,29,31,35H2,1-11H3;15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3;4-7H,1-3H3;1H;/q;;-1;;+2/p-1/b37-22+,38-24+,39-26+,40-28+,41-30+,42-34+;30-17+,31-19+,32-21+,33-23+,34-25+,35-27+;;;
InChIKeyFUWYYNFEQNCEGN-OQDHNPERSA-M
XLogP27.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds43
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001542.28
LogP ≤ 527.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide with MolForge

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Related Compounds

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CID 144787594
[2-methyl-4-propanoyloxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalen-1-yl] propanoate
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2-methyl-3-[(2E,6E,10Z,14E,18Z,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-diol
CID 163201273
2-methyl-3-[(2E,6Z,10Z,14E,18E,22E,26Z,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 172914185
2-[(2E,6E,10E,14E,18E,22Z,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]-3-methylnaphthalene-1,4-diol
CID 175684261
2-methyl-3-[(2E,6E,10Z,14Z,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 134823864
2-methyl-3-[(2Z,6Z,10Z,14E,18E,22E,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 156599551

Frequently Asked Questions

What is the IUPAC name of magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide?
The IUPAC name of magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide (CID 161293164) is magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide.
What is the SMILES notation for magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide?
The canonical SMILES for magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CBr.COc1[c-]c(C)c(OC)c2ccccc12.COc1c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(OC)c2ccccc12.[Br-].[Mg+2].
What is the InChIKey of magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide?
The InChIKey is FUWYYNFEQNCEGN-OQDHNPERSA-M. The full InChI is InChI=1S/C48H70O2.C35H57Br.C13H13O2.BrH.Mg/c1-36(2)20-14-21-37(3)22-15-23-38(4)24-16-25-39(5)26-17-27-40(6)28-18-29-41(7)30-19-31-42(8)34-35-44-43(9)47(49-10)45-32-12-13-33-46(45)48(44)50-11;1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-36;1-9-8-12(14-2)10-6-4-5-7-11(10)13(9)15-3;;/h12-13,20,22,24,26,28,30,32-34H,14-19,21,23,25,27,29,31,35H2,1-11H3;15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3;4-7H,1-3H3;1H;/q;;-1;;+2/p-1/b37-22+,38-24+,39-26+,40-28+,41-30+,42-34+;30-17+,31-19+,32-21+,33-23+,34-25+,35-27+;;;.
What are the key properties of magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide?
magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide has a molecular weight of 1542.28 g/mol, XLogP of 27.33, 43 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide is sourced from PubChem (CID 161293164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).