trihexyl(2-methoxyethyl)phosphanium

C21H46OP+ — CID 87077620

IUPACtrihexyl(2-methoxyethyl)phosphanium
SMILESCCCCCC[P+](CCCCCC)(CCCCCC)CCOC
InChIInChI=1S/C21H46OP/c1-5-8-11-14-18-23(21-17-22-4,19-15-12-9-6-2)20-16-13-10-7-3/h5-21H2,1-4H3/q+1
InChIKeyWRQUCXJNDIJUTE-UHFFFAOYSA-N
MW345.57 g/mol
LogP7.39
Rot. Bonds18

About trihexyl(2-methoxyethyl)phosphanium

trihexyl(2-methoxyethyl)phosphanium (PubChem CID 87077620) has the molecular formula C21H46OP+ and a molecular weight of 345.57 g/mol. Its IUPAC name is trihexyl(2-methoxyethyl)phosphanium.

Molecular Properties

Compound Nametrihexyl(2-methoxyethyl)phosphanium
PubChem CID87077620
Molecular FormulaC21H46OP+
Molecular Weight345.57 g/mol
Exact Mass345.33
IUPAC Nametrihexyl(2-methoxyethyl)phosphanium
SMILESCCCCCC[P+](CCCCCC)(CCCCCC)CCOC
InChIInChI=1S/C21H46OP/c1-5-8-11-14-18-23(21-17-22-4,19-15-12-9-6-2)20-16-13-10-7-3/h5-21H2,1-4H3/q+1
InChIKeyWRQUCXJNDIJUTE-UHFFFAOYSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 57.39
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'}

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Related Compounds

2-methoxyethyl(trioctyl)phosphanium
CID 87697312
tributyl(2-methoxyethyl)phosphanium
CID 25047739
2-(2-methoxyethoxy)ethyl-trioctylphosphanium
CID 87729688
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
tridodecyl(heptyl)phosphanium
CID 87810947
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391

Frequently Asked Questions

What is the IUPAC name of trihexyl(2-methoxyethyl)phosphanium?
The IUPAC name of trihexyl(2-methoxyethyl)phosphanium (CID 87077620) is trihexyl(2-methoxyethyl)phosphanium.
What is the SMILES notation for trihexyl(2-methoxyethyl)phosphanium?
The canonical SMILES for trihexyl(2-methoxyethyl)phosphanium is CCCCCC[P+](CCCCCC)(CCCCCC)CCOC.
What is the InChIKey of trihexyl(2-methoxyethyl)phosphanium?
The InChIKey is WRQUCXJNDIJUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46OP/c1-5-8-11-14-18-23(21-17-22-4,19-15-12-9-6-2)20-16-13-10-7-3/h5-21H2,1-4H3/q+1.
What are the key properties of trihexyl(2-methoxyethyl)phosphanium?
trihexyl(2-methoxyethyl)phosphanium has a molecular weight of 345.57 g/mol, XLogP of 7.39, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(2-methoxyethyl)phosphanium is sourced from PubChem (CID 87077620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).