ethoxy(trihexyl)phosphanium

C20H44OP+ — CID 175604619

IUPACethoxy(trihexyl)phosphanium
SMILESCCCCCC[P+](CCCCCC)(CCCCCC)OCC
InChIInChI=1S/C20H44OP/c1-5-9-12-15-18-22(21-8-4,19-16-13-10-6-2)20-17-14-11-7-3/h5-20H2,1-4H3/q+1
InChIKeyXRDARNPQAWYCPH-UHFFFAOYSA-N
MW331.55 g/mol
LogP7.70
Rot. Bonds17

About ethoxy(trihexyl)phosphanium

ethoxy(trihexyl)phosphanium (PubChem CID 175604619) has the molecular formula C20H44OP+ and a molecular weight of 331.55 g/mol. Its IUPAC name is ethoxy(trihexyl)phosphanium.

Molecular Properties

Compound Nameethoxy(trihexyl)phosphanium
PubChem CID175604619
Molecular FormulaC20H44OP+
Molecular Weight331.55 g/mol
Exact Mass331.31
IUPAC Nameethoxy(trihexyl)phosphanium
SMILESCCCCCC[P+](CCCCCC)(CCCCCC)OCC
InChIInChI=1S/C20H44OP/c1-5-9-12-15-18-22(21-8-4,19-16-13-10-6-2)20-17-14-11-7-3/h5-20H2,1-4H3/q+1
InChIKeyXRDARNPQAWYCPH-UHFFFAOYSA-N
XLogP7.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.55
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethoxy(trihexyl)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

ethoxy-hexyl-dihydroxyphosphanium
CID 175443521
decane;ruthenium
CID 160818595
9-ethoxyoctadecane
CID 87148376
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tri(heptadecyl)-pentadecylphosphanium
CID 87810198
heptyl-tri(undecyl)phosphanium
CID 87895668
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
dihexyl(dioctyl)phosphanium
CID 87323731
decyl-dimethyl-nonylphosphanium
CID 87732648

Frequently Asked Questions

What is the IUPAC name of ethoxy(trihexyl)phosphanium?
The IUPAC name of ethoxy(trihexyl)phosphanium (CID 175604619) is ethoxy(trihexyl)phosphanium.
What is the SMILES notation for ethoxy(trihexyl)phosphanium?
The canonical SMILES for ethoxy(trihexyl)phosphanium is CCCCCC[P+](CCCCCC)(CCCCCC)OCC.
What is the InChIKey of ethoxy(trihexyl)phosphanium?
The InChIKey is XRDARNPQAWYCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44OP/c1-5-9-12-15-18-22(21-8-4,19-16-13-10-6-2)20-17-14-11-7-3/h5-20H2,1-4H3/q+1.
What are the key properties of ethoxy(trihexyl)phosphanium?
ethoxy(trihexyl)phosphanium has a molecular weight of 331.55 g/mol, XLogP of 7.70, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(trihexyl)phosphanium is sourced from PubChem (CID 175604619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).