oct-1-en-2-yl(triphenyl)phosphanium

C26H30P+ — CID 101022395

IUPACoct-1-en-2-yl(triphenyl)phosphanium
SMILESC=C(CCCCCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30P/c1-3-4-5-9-16-23(2)27(24-17-10-6-11-18-24,25-19-12-7-13-20-25)26-21-14-8-15-22-26/h6-8,10-15,17-22H,2-5,9,16H2,1H3/q+1
InChIKeyHNRIYAXXYBDCKP-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.46
Rot. Bonds9

About oct-1-en-2-yl(triphenyl)phosphanium

oct-1-en-2-yl(triphenyl)phosphanium (PubChem CID 101022395) has the molecular formula C26H30P+ and a molecular weight of 373.50 g/mol. Its IUPAC name is oct-1-en-2-yl(triphenyl)phosphanium.

Molecular Properties

Compound Nameoct-1-en-2-yl(triphenyl)phosphanium
PubChem CID101022395
Molecular FormulaC26H30P+
Molecular Weight373.50 g/mol
Exact Mass373.21
IUPAC Nameoct-1-en-2-yl(triphenyl)phosphanium
SMILESC=C(CCCCCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30P/c1-3-4-5-9-16-23(2)27(24-17-10-6-11-18-24,25-19-12-7-13-20-25)26-21-14-8-15-22-26/h6-8,10-15,17-22H,2-5,9,16H2,1H3/q+1
InChIKeyHNRIYAXXYBDCKP-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze oct-1-en-2-yl(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

hex-1-en-2-yl(triphenyl)phosphanium
CID 10939905
4-hydroxybut-1-en-2-yl(triphenyl)phosphanium
CID 101022398
dodecane;phenol
CID 157210063
12-methyltridec-12-enyl(triphenyl)phosphanium
CID 172616044
hexyl(triphenyl)phosphanium
CID 2724570
phenol;trihexyl(tetradecyl)phosphanium
CID 139300494
hydroxy-octyl-diphenylphosphanium
CID 67135899
2-oxooctyl(triphenyl)phosphanium iodide
CID 158193505
3-methylidene-1-phenylnonan-1-ol
CID 102449396
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium iodide
CID 22245251
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024

Frequently Asked Questions

What is the IUPAC name of oct-1-en-2-yl(triphenyl)phosphanium?
The IUPAC name of oct-1-en-2-yl(triphenyl)phosphanium (CID 101022395) is oct-1-en-2-yl(triphenyl)phosphanium.
What is the SMILES notation for oct-1-en-2-yl(triphenyl)phosphanium?
The canonical SMILES for oct-1-en-2-yl(triphenyl)phosphanium is C=C(CCCCCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of oct-1-en-2-yl(triphenyl)phosphanium?
The InChIKey is HNRIYAXXYBDCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30P/c1-3-4-5-9-16-23(2)27(24-17-10-6-11-18-24,25-19-12-7-13-20-25)26-21-14-8-15-22-26/h6-8,10-15,17-22H,2-5,9,16H2,1H3/q+1.
What are the key properties of oct-1-en-2-yl(triphenyl)phosphanium?
oct-1-en-2-yl(triphenyl)phosphanium has a molecular weight of 373.50 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-en-2-yl(triphenyl)phosphanium is sourced from PubChem (CID 101022395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).