oct-7-enyl(triphenyl)phosphanium bromide

C26H30BrP — CID 22627871

IUPACoct-7-enyl(triphenyl)phosphanium bromide
SMILESC=CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C26H30P.BrH/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;/h2,7-15,17-22H,1,3-6,16,23H2;1H/q+1;/p-1
InChIKeyAOLOSIOWOOLMCL-UHFFFAOYSA-M
MW453.40 g/mol
LogP3.12
Rot. Bonds10

About oct-7-enyl(triphenyl)phosphanium bromide

oct-7-enyl(triphenyl)phosphanium bromide (PubChem CID 22627871) has the molecular formula C26H30BrP and a molecular weight of 453.40 g/mol. Its IUPAC name is oct-7-enyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Nameoct-7-enyl(triphenyl)phosphanium bromide
PubChem CID22627871
Molecular FormulaC26H30BrP
Molecular Weight453.40 g/mol
Exact Mass452.13
IUPAC Nameoct-7-enyl(triphenyl)phosphanium bromide
SMILESC=CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C26H30P.BrH/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;/h2,7-15,17-22H,1,3-6,16,23H2;1H/q+1;/p-1
InChIKeyAOLOSIOWOOLMCL-UHFFFAOYSA-M
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(undec-10-enyl)phosphanium
CID 3716115
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
[(E)-7-iodohept-6-enyl]-triphenylphosphanium bromide
CID 11092959
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
CID 10767190
azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
CID 172743171
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
CID 10767189

Frequently Asked Questions

What is the IUPAC name of oct-7-enyl(triphenyl)phosphanium bromide?
The IUPAC name of oct-7-enyl(triphenyl)phosphanium bromide (CID 22627871) is oct-7-enyl(triphenyl)phosphanium bromide.
What is the SMILES notation for oct-7-enyl(triphenyl)phosphanium bromide?
The canonical SMILES for oct-7-enyl(triphenyl)phosphanium bromide is C=CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of oct-7-enyl(triphenyl)phosphanium bromide?
The InChIKey is AOLOSIOWOOLMCL-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H30P.BrH/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;/h2,7-15,17-22H,1,3-6,16,23H2;1H/q+1;/p-1.
What are the key properties of oct-7-enyl(triphenyl)phosphanium bromide?
oct-7-enyl(triphenyl)phosphanium bromide has a molecular weight of 453.40 g/mol, XLogP of 3.12, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-enyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 22627871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).