deca-4,8-dienyl(triphenyl)phosphanium

C28H32P+ — CID 173274307

IUPACdeca-4,8-dienyl(triphenyl)phosphanium
SMILESCC=CCCC=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32P/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28/h2-3,6-7,9-17,19-24H,4-5,8,18,25H2,1H3/q+1
InChIKeyFEDQOPIICMJIJB-UHFFFAOYSA-N
MW399.54 g/mol
LogP6.67
Rot. Bonds10

About deca-4,8-dienyl(triphenyl)phosphanium

deca-4,8-dienyl(triphenyl)phosphanium (PubChem CID 173274307) has the molecular formula C28H32P+ and a molecular weight of 399.54 g/mol. Its IUPAC name is deca-4,8-dienyl(triphenyl)phosphanium.

Molecular Properties

Compound Namedeca-4,8-dienyl(triphenyl)phosphanium
PubChem CID173274307
Molecular FormulaC28H32P+
Molecular Weight399.54 g/mol
Exact Mass399.22
IUPAC Namedeca-4,8-dienyl(triphenyl)phosphanium
SMILESCC=CCCC=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32P/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28/h2-3,6-7,9-17,19-24H,4-5,8,18,25H2,1H3/q+1
InChIKeyFEDQOPIICMJIJB-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 56.67
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

[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
[(E)-11,11-dibutoxyundec-4-enyl]-triphenylphosphanium
CID 175312604
[(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride
CID 175312685
[(E)-11,11-diheptoxyundec-4-enyl]-triphenylphosphanium
CID 175312666
hex-3-enyl(triphenyl)phosphanium
CID 73026873
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride
CID 175312709
[(E)-7-iodohept-6-enyl]-triphenylphosphanium bromide
CID 11092959
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496

Frequently Asked Questions

What is the IUPAC name of deca-4,8-dienyl(triphenyl)phosphanium?
The IUPAC name of deca-4,8-dienyl(triphenyl)phosphanium (CID 173274307) is deca-4,8-dienyl(triphenyl)phosphanium.
What is the SMILES notation for deca-4,8-dienyl(triphenyl)phosphanium?
The canonical SMILES for deca-4,8-dienyl(triphenyl)phosphanium is CC=CCCC=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of deca-4,8-dienyl(triphenyl)phosphanium?
The InChIKey is FEDQOPIICMJIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32P/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28/h2-3,6-7,9-17,19-24H,4-5,8,18,25H2,1H3/q+1.
What are the key properties of deca-4,8-dienyl(triphenyl)phosphanium?
deca-4,8-dienyl(triphenyl)phosphanium has a molecular weight of 399.54 g/mol, XLogP of 6.67, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deca-4,8-dienyl(triphenyl)phosphanium is sourced from PubChem (CID 173274307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).