sodium dioctylphosphinate

C16H34NaO2P — CID 23691904

IUPACsodium dioctylphosphinate
SMILESCCCCCCCCP(=O)([O-])CCCCCCCC.[Na+]
InChIInChI=1S/C16H35O2P.Na/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,18);/q;+1/p-1
InChIKeyAYACSFXZUWJIJK-UHFFFAOYSA-M
MW312.41 g/mol
LogP2.35
Rot. Bonds14

About sodium dioctylphosphinate

sodium dioctylphosphinate (PubChem CID 23691904) has the molecular formula C16H34NaO2P and a molecular weight of 312.41 g/mol. Its IUPAC name is sodium dioctylphosphinate.

Molecular Properties

Compound Namesodium dioctylphosphinate
PubChem CID23691904
Molecular FormulaC16H34NaO2P
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Namesodium dioctylphosphinate
SMILESCCCCCCCCP(=O)([O-])CCCCCCCC.[Na+]
InChIInChI=1S/C16H35O2P.Na/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,18);/q;+1/p-1
InChIKeyAYACSFXZUWJIJK-UHFFFAOYSA-M
XLogP2.35
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.35
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

aluminum tris(didecylphosphinate)
CID 175205611
bis(dioctylphosphinate);nickel(2+)
CID 22743879
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
calcium bis(dihexylphosphinate)
CID 170549963
bis(diheptylphosphinate);nickel(2+)
CID 22743867
aluminum tris(dipentylphosphinate)
CID 175031786
bis(dipentylphosphinate);nickel(2+)
CID 22743871
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)
CID 140747194
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108

Frequently Asked Questions

What is the IUPAC name of sodium dioctylphosphinate?
The IUPAC name of sodium dioctylphosphinate (CID 23691904) is sodium dioctylphosphinate.
What is the SMILES notation for sodium dioctylphosphinate?
The canonical SMILES for sodium dioctylphosphinate is CCCCCCCCP(=O)([O-])CCCCCCCC.[Na+].
What is the InChIKey of sodium dioctylphosphinate?
The InChIKey is AYACSFXZUWJIJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35O2P.Na/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,18);/q;+1/p-1.
What are the key properties of sodium dioctylphosphinate?
sodium dioctylphosphinate has a molecular weight of 312.41 g/mol, XLogP of 2.35, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dioctylphosphinate is sourced from PubChem (CID 23691904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).