sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate

C20H45NaO3P2 — CID 139896839

IUPACsodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate
SMILESCCCCP(=O)([O-])OP(CCCC)(CCCC)(CCCC)CCCC.[Na+]
InChIInChI=1S/C20H46O3P2.Na/c1-6-11-16-24(21,22)23-25(17-12-7-2,18-13-8-3,19-14-9-4)20-15-10-5;/h6-20H2,1-5H3,(H,21,22);/q;+1/p-1
InChIKeyCRTKBGODPQWFKJ-UHFFFAOYSA-M
MW418.52 g/mol
LogP4.03
Rot. Bonds17

About sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate

sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate (PubChem CID 139896839) has the molecular formula C20H45NaO3P2 and a molecular weight of 418.52 g/mol. Its IUPAC name is sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate.

Molecular Properties

Compound Namesodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate
PubChem CID139896839
Molecular FormulaC20H45NaO3P2
Molecular Weight418.52 g/mol
Exact Mass418.27
IUPAC Namesodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate
SMILESCCCCP(=O)([O-])OP(CCCC)(CCCC)(CCCC)CCCC.[Na+]
InChIInChI=1S/C20H46O3P2.Na/c1-6-11-16-24(21,22)23-25(17-12-7-2,18-13-8-3,19-14-9-4)20-15-10-5;/h6-20H2,1-5H3,(H,21,22);/q;+1/p-1
InChIKeyCRTKBGODPQWFKJ-UHFFFAOYSA-M
XLogP4.03
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate 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

lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate
CID 139896822
dodecyl bis(tetrabutyl-λ5-phosphanyl) phosphate
CID 141220926
sodium ethoxy(tridecyl)phosphinate
CID 90661205
sodium octoxy(octyl)phosphinate
CID 139819934
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
azanium fluorooxy(octyl)phosphinate
CID 140648901
azanium fluorooxy(hexyl)phosphinate
CID 140648899
hexoxy(hexyl)phosphinate;nickel(2+)
CID 87135978
sodium;boranuide;1-dibutylphosphorylbutane
CID 174755503
hexoxy(hexyl)phosphinate;iron(2+)
CID 87602875
cobalt(3+);hexoxy(hexyl)phosphinate
CID 140747230
sodium dioctylphosphinate
CID 23691904

Frequently Asked Questions

What is the IUPAC name of sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate?
The IUPAC name of sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate (CID 139896839) is sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate.
What is the SMILES notation for sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate?
The canonical SMILES for sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate is CCCCP(=O)([O-])OP(CCCC)(CCCC)(CCCC)CCCC.[Na+].
What is the InChIKey of sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate?
The InChIKey is CRTKBGODPQWFKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H46O3P2.Na/c1-6-11-16-24(21,22)23-25(17-12-7-2,18-13-8-3,19-14-9-4)20-15-10-5;/h6-20H2,1-5H3,(H,21,22);/q;+1/p-1.
What are the key properties of sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate?
sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate has a molecular weight of 418.52 g/mol, XLogP of 4.03, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate is sourced from PubChem (CID 139896839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).