8-bromooctyl(triphenyl)phosphanium

C26H31BrP+ — CID 11991463

IUPAC8-bromooctyl(triphenyl)phosphanium
SMILESBrCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31BrP/c27-22-14-3-1-2-4-15-23-28(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21H,1-4,14-15,22-23H2/q+1
InChIKeyUSSZHXMNRQRESO-UHFFFAOYSA-N
MW454.41 g/mol
LogP6.72
Rot. Bonds11

About 8-bromooctyl(triphenyl)phosphanium

8-bromooctyl(triphenyl)phosphanium (PubChem CID 11991463) has the molecular formula C26H31BrP+ and a molecular weight of 454.41 g/mol. Its IUPAC name is 8-bromooctyl(triphenyl)phosphanium.

Molecular Properties

Compound Name8-bromooctyl(triphenyl)phosphanium
PubChem CID11991463
Molecular FormulaC26H31BrP+
Molecular Weight454.41 g/mol
Exact Mass453.13
IUPAC Name8-bromooctyl(triphenyl)phosphanium
SMILESBrCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31BrP/c27-22-14-3-1-2-4-15-23-28(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21H,1-4,14-15,22-23H2/q+1
InChIKeyUSSZHXMNRQRESO-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.41
LogP ≤ 56.72
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-bromopentyl(triphenyl)phosphanium
CID 53436148
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
3-bromopropyl-(4-carboxyphenyl)-diphenylphosphanium
CID 155644399
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
triphenyl(undecyl)phosphanium chloride
CID 22921220
triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium
CID 101437845
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
10-bromodec-2-enyl(triphenyl)phosphanium
CID 174231321
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696

Frequently Asked Questions

What is the IUPAC name of 8-bromooctyl(triphenyl)phosphanium?
The IUPAC name of 8-bromooctyl(triphenyl)phosphanium (CID 11991463) is 8-bromooctyl(triphenyl)phosphanium.
What is the SMILES notation for 8-bromooctyl(triphenyl)phosphanium?
The canonical SMILES for 8-bromooctyl(triphenyl)phosphanium is BrCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-bromooctyl(triphenyl)phosphanium?
The InChIKey is USSZHXMNRQRESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31BrP/c27-22-14-3-1-2-4-15-23-28(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21H,1-4,14-15,22-23H2/q+1.
What are the key properties of 8-bromooctyl(triphenyl)phosphanium?
8-bromooctyl(triphenyl)phosphanium has a molecular weight of 454.41 g/mol, XLogP of 6.72, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromooctyl(triphenyl)phosphanium is sourced from PubChem (CID 11991463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).