26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene

C32H53Br — CID 162298741

IUPAC26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)CCCBr
InChIInChI=1S/C32H53Br/c1-27(2)15-10-18-30(5)21-11-19-28(3)16-8-9-17-29(4)20-12-22-31(6)23-13-24-32(7)25-14-26-33/h15-17,21-22,24H,8-14,18-20,23,25-26H2,1-7H3
InChIKeyNPLRPDOKUPIUOD-UHFFFAOYSA-N
MW517.68 g/mol
LogP11.76
Rot. Bonds18

About 26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene

26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene (PubChem CID 162298741) has the molecular formula C32H53Br and a molecular weight of 517.68 g/mol. Its IUPAC name is 26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene.

Molecular Properties

Compound Name26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene
PubChem CID162298741
Molecular FormulaC32H53Br
Molecular Weight517.68 g/mol
Exact Mass516.33
IUPAC Name26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)CCCBr
InChIInChI=1S/C32H53Br/c1-27(2)15-10-18-30(5)21-11-19-28(3)16-8-9-17-29(4)20-12-22-31(6)23-13-24-32(7)25-14-26-33/h15-17,21-22,24H,8-14,18-20,23,25-26H2,1-7H3
InChIKeyNPLRPDOKUPIUOD-UHFFFAOYSA-N
XLogP11.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.68
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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
(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
CID 88841659
(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
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
[(2E)-3,7-dimethylocta-2,6-dienyl] 4-bromobutanoate
CID 176892958
(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine
CID 145283944
1-bromo-2,6,10-trimethylundeca-1,5,9-triene
CID 86044295

Frequently Asked Questions

What is the IUPAC name of 26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene?
The IUPAC name of 26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene (CID 162298741) is 26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene.
What is the SMILES notation for 26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene?
The canonical SMILES for 26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene is CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)CCCBr.
What is the InChIKey of 26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene?
The InChIKey is NPLRPDOKUPIUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53Br/c1-27(2)15-10-18-30(5)21-11-19-28(3)16-8-9-17-29(4)20-12-22-31(6)23-13-24-32(7)25-14-26-33/h15-17,21-22,24H,8-14,18-20,23,25-26H2,1-7H3.
What are the key properties of 26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene?
26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene has a molecular weight of 517.68 g/mol, XLogP of 11.76, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene is sourced from PubChem (CID 162298741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).