[2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium

C29H63NO2P+ — CID 175236077

IUPAC[2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)NCCOCCOC
InChIInChI=1S/C29H63NO2P/c1-5-8-11-14-17-20-27-33(28-21-18-15-12-9-6-2,29-22-19-16-13-10-7-3)30-23-24-32-26-25-31-4/h30H,5-29H2,1-4H3/q+1
InChIKeyBIWIHXZPWLKTKV-UHFFFAOYSA-N
MW488.80 g/mol
LogP9.25
Rot. Bonds28

About [2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium

[2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium (PubChem CID 175236077) has the molecular formula C29H63NO2P+ and a molecular weight of 488.80 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium
PubChem CID175236077
Molecular FormulaC29H63NO2P+
Molecular Weight488.80 g/mol
Exact Mass488.46
IUPAC Name[2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)NCCOCCOC
InChIInChI=1S/C29H63NO2P/c1-5-8-11-14-17-20-27-33(28-21-18-15-12-9-6-2,29-22-19-16-13-10-7-3)30-23-24-32-26-25-31-4/h30H,5-29H2,1-4H3/q+1
InChIKeyBIWIHXZPWLKTKV-UHFFFAOYSA-N
XLogP9.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.80
LogP ≤ 59.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methoxyethoxy)ethyl-trioctylphosphanium
CID 87729688
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
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-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290
(2-hydroxyethylamino)-trioctylphosphanium
CID 174515804
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506
1-methoxy-N-propyldodecan-4-amine
CID 65091880

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium?
The IUPAC name of [2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium (CID 175236077) is [2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium.
What is the SMILES notation for [2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium?
The canonical SMILES for [2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium is CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)NCCOCCOC.
What is the InChIKey of [2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium?
The InChIKey is BIWIHXZPWLKTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H63NO2P/c1-5-8-11-14-17-20-27-33(28-21-18-15-12-9-6-2,29-22-19-16-13-10-7-3)30-23-24-32-26-25-31-4/h30H,5-29H2,1-4H3/q+1.
What are the key properties of [2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium?
[2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium has a molecular weight of 488.80 g/mol, XLogP of 9.25, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium is sourced from PubChem (CID 175236077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).