(2-hydroxyethylamino)-trioctylphosphanium

C26H57NOP+ — CID 174515804

IUPAC(2-hydroxyethylamino)-trioctylphosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)NCCO
InChIInChI=1S/C26H57NOP/c1-4-7-10-13-16-19-24-29(27-22-23-28,25-20-17-14-11-8-5-2)26-21-18-15-12-9-6-3/h27-28H,4-26H2,1-3H3/q+1
InChIKeyIUBASSXWBOGXTR-UHFFFAOYSA-N
MW430.72 g/mol
LogP8.58
Rot. Bonds24

About (2-hydroxyethylamino)-trioctylphosphanium

(2-hydroxyethylamino)-trioctylphosphanium (PubChem CID 174515804) has the molecular formula C26H57NOP+ and a molecular weight of 430.72 g/mol. Its IUPAC name is (2-hydroxyethylamino)-trioctylphosphanium.

Molecular Properties

Compound Name(2-hydroxyethylamino)-trioctylphosphanium
PubChem CID174515804
Molecular FormulaC26H57NOP+
Molecular Weight430.72 g/mol
Exact Mass430.42
IUPAC Name(2-hydroxyethylamino)-trioctylphosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)NCCO
InChIInChI=1S/C26H57NOP/c1-4-7-10-13-16-19-24-29(27-22-23-28,25-20-17-14-11-8-5-2)26-21-18-15-12-9-6-3/h27-28H,4-26H2,1-3H3/q+1
InChIKeyIUBASSXWBOGXTR-UHFFFAOYSA-N
XLogP8.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 58.58
H-Bond Donors ≤ 52
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

2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
3-(propylamino)dodecan-1-ol
CID 114078400
[2-(2-methoxyethoxy)ethylamino]-trioctylphosphanium
CID 175236077
1-(3-hydroxypropylamino)octan-1-ol
CID 57106869
1-(3-hydroxypropylamino)decan-1-ol
CID 57171427
1-(propylamino)nonan-1-ol
CID 88518015
2-(ethylamino)ethanol;hexadecan-1-ol
CID 174880813
1-(propylamino)dodecan-1-ol
CID 88518023
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552
3-(octylamino)butan-1-ol
CID 83177243

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyethylamino)-trioctylphosphanium?
The IUPAC name of (2-hydroxyethylamino)-trioctylphosphanium (CID 174515804) is (2-hydroxyethylamino)-trioctylphosphanium.
What is the SMILES notation for (2-hydroxyethylamino)-trioctylphosphanium?
The canonical SMILES for (2-hydroxyethylamino)-trioctylphosphanium is CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)NCCO.
What is the InChIKey of (2-hydroxyethylamino)-trioctylphosphanium?
The InChIKey is IUBASSXWBOGXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57NOP/c1-4-7-10-13-16-19-24-29(27-22-23-28,25-20-17-14-11-8-5-2)26-21-18-15-12-9-6-3/h27-28H,4-26H2,1-3H3/q+1.
What are the key properties of (2-hydroxyethylamino)-trioctylphosphanium?
(2-hydroxyethylamino)-trioctylphosphanium has a molecular weight of 430.72 g/mol, XLogP of 8.58, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyethylamino)-trioctylphosphanium is sourced from PubChem (CID 174515804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).