2-(2-methoxyethoxy)ethyl-trioctylphosphanium

C29H62O2P+ — CID 87729688

IUPAC2-(2-methoxyethoxy)ethyl-trioctylphosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCOCCOC
InChIInChI=1S/C29H62O2P/c1-5-8-11-14-17-20-26-32(29-25-31-24-23-30-4,27-21-18-15-12-9-6-2)28-22-19-16-13-10-7-3/h5-29H2,1-4H3/q+1
InChIKeyYDTQPVLNTJMRQW-UHFFFAOYSA-N
MW473.79 g/mol
LogP9.75
Rot. Bonds27

About 2-(2-methoxyethoxy)ethyl-trioctylphosphanium

2-(2-methoxyethoxy)ethyl-trioctylphosphanium (PubChem CID 87729688) has the molecular formula C29H62O2P+ and a molecular weight of 473.79 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl-trioctylphosphanium.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl-trioctylphosphanium
PubChem CID87729688
Molecular FormulaC29H62O2P+
Molecular Weight473.79 g/mol
Exact Mass473.45
IUPAC Name2-(2-methoxyethoxy)ethyl-trioctylphosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCOCCOC
InChIInChI=1S/C29H62O2P/c1-5-8-11-14-17-20-26-32(29-25-31-24-23-30-4,27-21-18-15-12-9-6-2)28-22-19-16-13-10-7-3/h5-29H2,1-4H3/q+1
InChIKeyYDTQPVLNTJMRQW-UHFFFAOYSA-N
XLogP9.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
2-methoxyethyl(trioctyl)phosphanium
CID 87697312
2-butoxyethyl(tridodecyl)phosphanium
CID 59274496
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
tributyl(2-methoxyethyl)phosphanium
CID 25047739
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290
dihexyl(dioctyl)phosphanium
CID 87323731
tri(heptadecyl)-pentadecylphosphanium
CID 87810198
tri(nonadecyl)-undecylphosphanium
CID 87808807

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl-trioctylphosphanium?
The IUPAC name of 2-(2-methoxyethoxy)ethyl-trioctylphosphanium (CID 87729688) is 2-(2-methoxyethoxy)ethyl-trioctylphosphanium.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl-trioctylphosphanium?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl-trioctylphosphanium is CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCOCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl-trioctylphosphanium?
The InChIKey is YDTQPVLNTJMRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62O2P/c1-5-8-11-14-17-20-26-32(29-25-31-24-23-30-4,27-21-18-15-12-9-6-2)28-22-19-16-13-10-7-3/h5-29H2,1-4H3/q+1.
What are the key properties of 2-(2-methoxyethoxy)ethyl-trioctylphosphanium?
2-(2-methoxyethoxy)ethyl-trioctylphosphanium has a molecular weight of 473.79 g/mol, XLogP of 9.75, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl-trioctylphosphanium is sourced from PubChem (CID 87729688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).