sodium ethoxy(tridecyl)phosphinate

C15H32NaO3P — CID 90661205

IUPACsodium ethoxy(tridecyl)phosphinate
SMILESCCCCCCCCCCCCCP(=O)([O-])OCC.[Na+]
InChIInChI=1S/C15H33O3P.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18-4-2;/h3-15H2,1-2H3,(H,16,17);/q;+1/p-1
InChIKeyZYDRBKKVQNEWPL-UHFFFAOYSA-M
MW314.38 g/mol
LogP1.89
Rot. Bonds14

About sodium ethoxy(tridecyl)phosphinate

sodium ethoxy(tridecyl)phosphinate (PubChem CID 90661205) has the molecular formula C15H32NaO3P and a molecular weight of 314.38 g/mol. Its IUPAC name is sodium ethoxy(tridecyl)phosphinate.

Molecular Properties

Compound Namesodium ethoxy(tridecyl)phosphinate
PubChem CID90661205
Molecular FormulaC15H32NaO3P
Molecular Weight314.38 g/mol
Exact Mass314.20
IUPAC Namesodium ethoxy(tridecyl)phosphinate
SMILESCCCCCCCCCCCCCP(=O)([O-])OCC.[Na+]
InChIInChI=1S/C15H33O3P.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18-4-2;/h3-15H2,1-2H3,(H,16,17);/q;+1/p-1
InChIKeyZYDRBKKVQNEWPL-UHFFFAOYSA-M
XLogP1.89
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze sodium ethoxy(tridecyl)phosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium octoxy(octyl)phosphinate
CID 139819934
cobalt(3+);hexoxy(hexyl)phosphinate
CID 140747230
hexoxy(hexyl)phosphinate;iron(2+)
CID 87602875
hexoxy(hexyl)phosphinate;nickel(2+)
CID 87135978
2-hydroxyethoxy(tetradecyl)phosphinate
CID 71443061
ethoxy(undec-10-enyl)phosphinate
CID 71356470
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
azanium fluorooxy(hexyl)phosphinate
CID 140648899
azanium fluorooxy(octyl)phosphinate
CID 140648901
sodium dioctylphosphinate
CID 23691904
1-[chloro(ethoxy)phosphoryl]docosane
CID 71395533

Frequently Asked Questions

What is the IUPAC name of sodium ethoxy(tridecyl)phosphinate?
The IUPAC name of sodium ethoxy(tridecyl)phosphinate (CID 90661205) is sodium ethoxy(tridecyl)phosphinate.
What is the SMILES notation for sodium ethoxy(tridecyl)phosphinate?
The canonical SMILES for sodium ethoxy(tridecyl)phosphinate is CCCCCCCCCCCCCP(=O)([O-])OCC.[Na+].
What is the InChIKey of sodium ethoxy(tridecyl)phosphinate?
The InChIKey is ZYDRBKKVQNEWPL-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H33O3P.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18-4-2;/h3-15H2,1-2H3,(H,16,17);/q;+1/p-1.
What are the key properties of sodium ethoxy(tridecyl)phosphinate?
sodium ethoxy(tridecyl)phosphinate has a molecular weight of 314.38 g/mol, XLogP of 1.89, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethoxy(tridecyl)phosphinate is sourced from PubChem (CID 90661205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).