hex-3-enyl(triphenyl)phosphanium

C24H26P+ — CID 73026873

IUPAChex-3-enyl(triphenyl)phosphanium
SMILESCCC=CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h3-13,15-20H,2,14,21H2,1H3/q+1
InChIKeyQWQFSGFGNKWNEN-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.34
Rot. Bonds7

About hex-3-enyl(triphenyl)phosphanium

hex-3-enyl(triphenyl)phosphanium (PubChem CID 73026873) has the molecular formula C24H26P+ and a molecular weight of 345.45 g/mol. Its IUPAC name is hex-3-enyl(triphenyl)phosphanium.

Molecular Properties

Compound Namehex-3-enyl(triphenyl)phosphanium
PubChem CID73026873
Molecular FormulaC24H26P+
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Namehex-3-enyl(triphenyl)phosphanium
SMILESCCC=CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h3-13,15-20H,2,14,21H2,1H3/q+1
InChIKeyQWQFSGFGNKWNEN-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hex-3-enyl(triphenyl)phosphanium 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

[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
[(3Z,6Z)-nona-3,6-dienyl]-triphenylphosphanium
CID 10099245
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
CID 10767190
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
CID 10767189
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium
CID 10437824
triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium
CID 101160333
bis(1-bromopropane);bis((Z)-hex-3-ene);(E)-hex-3-ene;propanal;bis(triphenyl(propyl)phosphanium);dibromide
CID 158198427
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
deca-4,8-dienyl(triphenyl)phosphanium
CID 173274307

Frequently Asked Questions

What is the IUPAC name of hex-3-enyl(triphenyl)phosphanium?
The IUPAC name of hex-3-enyl(triphenyl)phosphanium (CID 73026873) is hex-3-enyl(triphenyl)phosphanium.
What is the SMILES notation for hex-3-enyl(triphenyl)phosphanium?
The canonical SMILES for hex-3-enyl(triphenyl)phosphanium is CCC=CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of hex-3-enyl(triphenyl)phosphanium?
The InChIKey is QWQFSGFGNKWNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h3-13,15-20H,2,14,21H2,1H3/q+1.
What are the key properties of hex-3-enyl(triphenyl)phosphanium?
hex-3-enyl(triphenyl)phosphanium has a molecular weight of 345.45 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-enyl(triphenyl)phosphanium is sourced from PubChem (CID 73026873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).