2-methoxyethyl(trioctyl)phosphanium

C27H58OP+ — CID 87697312

IUPAC2-methoxyethyl(trioctyl)phosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCOC
InChIInChI=1S/C27H58OP/c1-5-8-11-14-17-20-24-29(27-23-28-4,25-21-18-15-12-9-6-2)26-22-19-16-13-10-7-3/h5-27H2,1-4H3/q+1
InChIKeyWDUSUMDLSRODTG-UHFFFAOYSA-N
MW429.73 g/mol
LogP9.73
Rot. Bonds24

About 2-methoxyethyl(trioctyl)phosphanium

2-methoxyethyl(trioctyl)phosphanium (PubChem CID 87697312) has the molecular formula C27H58OP+ and a molecular weight of 429.73 g/mol. Its IUPAC name is 2-methoxyethyl(trioctyl)phosphanium.

Molecular Properties

Compound Name2-methoxyethyl(trioctyl)phosphanium
PubChem CID87697312
Molecular FormulaC27H58OP+
Molecular Weight429.73 g/mol
Exact Mass429.42
IUPAC Name2-methoxyethyl(trioctyl)phosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCOC
InChIInChI=1S/C27H58OP/c1-5-8-11-14-17-20-24-29(27-23-28-4,25-21-18-15-12-9-6-2)26-22-19-16-13-10-7-3/h5-27H2,1-4H3/q+1
InChIKeyWDUSUMDLSRODTG-UHFFFAOYSA-N
XLogP9.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.73
LogP ≤ 59.73
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

trihexyl(2-methoxyethyl)phosphanium
CID 87077620
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
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tridodecyl(heptyl)phosphanium
CID 87810947

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl(trioctyl)phosphanium?
The IUPAC name of 2-methoxyethyl(trioctyl)phosphanium (CID 87697312) is 2-methoxyethyl(trioctyl)phosphanium.
What is the SMILES notation for 2-methoxyethyl(trioctyl)phosphanium?
The canonical SMILES for 2-methoxyethyl(trioctyl)phosphanium is CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCOC.
What is the InChIKey of 2-methoxyethyl(trioctyl)phosphanium?
The InChIKey is WDUSUMDLSRODTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58OP/c1-5-8-11-14-17-20-24-29(27-23-28-4,25-21-18-15-12-9-6-2)26-22-19-16-13-10-7-3/h5-27H2,1-4H3/q+1.
What are the key properties of 2-methoxyethyl(trioctyl)phosphanium?
2-methoxyethyl(trioctyl)phosphanium has a molecular weight of 429.73 g/mol, XLogP of 9.73, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl(trioctyl)phosphanium is sourced from PubChem (CID 87697312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).