magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide

C25H41BrMg — CID 58409825

IUPACmagnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide
SMILES[Br-].[CH2-]/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.[Mg+2]
InChIInChI=1S/C25H41.BrH.Mg/c1-8-22(4)14-10-16-24(6)18-12-20-25(7)19-11-17-23(5)15-9-13-21(2)3;;/h8,13,16-17,20H,1,9-12,14-15,18-19H2,2-7H3;1H;/q-1;;+2/p-1/b22-8+,23-17+,24-16+,25-20+;;
InChIKeyILORLHKQLZDRRD-JBMGQKTASA-M
MW445.81 g/mol
LogP5.32
Rot. Bonds12

About magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide

magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide (PubChem CID 58409825) has the molecular formula C25H41BrMg and a molecular weight of 445.81 g/mol. Its IUPAC name is magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide.

Molecular Properties

Compound Namemagnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide
PubChem CID58409825
Molecular FormulaC25H41BrMg
Molecular Weight445.81 g/mol
Exact Mass444.22
IUPAC Namemagnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide
SMILES[Br-].[CH2-]/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.[Mg+2]
InChIInChI=1S/C25H41.BrH.Mg/c1-8-22(4)14-10-16-24(6)18-12-20-25(7)19-11-17-23(5)15-9-13-21(2)3;;/h8,13,16-17,20H,1,9-12,14-15,18-19H2,2-7H3;1H;/q-1;;+2/p-1/b22-8+,23-17+,24-16+,25-20+;;
InChIKeyILORLHKQLZDRRD-JBMGQKTASA-M
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.81
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986

Frequently Asked Questions

What is the IUPAC name of magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide?
The IUPAC name of magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide (CID 58409825) is magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide.
What is the SMILES notation for magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide?
The canonical SMILES for magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide is [Br-].[CH2-]/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.[Mg+2].
What is the InChIKey of magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide?
The InChIKey is ILORLHKQLZDRRD-JBMGQKTASA-M. The full InChI is InChI=1S/C25H41.BrH.Mg/c1-8-22(4)14-10-16-24(6)18-12-20-25(7)19-11-17-23(5)15-9-13-21(2)3;;/h8,13,16-17,20H,1,9-12,14-15,18-19H2,2-7H3;1H;/q-1;;+2/p-1/b22-8+,23-17+,24-16+,25-20+;;.
What are the key properties of magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide?
magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide has a molecular weight of 445.81 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene;bromide is sourced from PubChem (CID 58409825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).