sodium octadecyl-oxido-oxophosphanium

C18H37NaO2P+ — CID 88687817

IUPACsodium octadecyl-oxido-oxophosphanium
SMILESCCCCCCCCCCCCCCCCCC[P+](=O)[O-].[Na+]
InChIInChI=1S/C18H37O2P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20;/h2-18H2,1H3;/q;+1
InChIKeyTYFVIUICYJJWTF-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.35
Rot. Bonds17

About sodium octadecyl-oxido-oxophosphanium

sodium octadecyl-oxido-oxophosphanium (PubChem CID 88687817) has the molecular formula C18H37NaO2P+ and a molecular weight of 339.46 g/mol. Its IUPAC name is sodium octadecyl-oxido-oxophosphanium.

Molecular Properties

Compound Namesodium octadecyl-oxido-oxophosphanium
PubChem CID88687817
Molecular FormulaC18H37NaO2P+
Molecular Weight339.46 g/mol
Exact Mass339.24
IUPAC Namesodium octadecyl-oxido-oxophosphanium
SMILESCCCCCCCCCCCCCCCCCC[P+](=O)[O-].[Na+]
InChIInChI=1S/C18H37O2P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20;/h2-18H2,1H3;/q;+1
InChIKeyTYFVIUICYJJWTF-UHFFFAOYSA-N
XLogP3.35
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.35
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

cobalt(2+);bis(octadecyl-oxido-oxophosphanium)
CID 140747211
bis(heptyl-oxido-oxophosphanium);iron(2+)
CID 87602335
chromium(2+);bis(oxido-oxo-pentylphosphanium)
CID 18626741
disodium;decane;selenite
CID 174911287
sodium oxido-oxo-(5-oxohexyl)phosphanium
CID 23707633
hydroxy-octyl-oxophosphanium;nickel
CID 87136142
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
disulfanyl-hexyl-oxophosphanium
CID 175340407
dioxido(oxo)phosphanium;heptane;neodymium(3+)
CID 162000198
tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)
CID 159420357
sodium;hydride;tridecane
CID 172995973

Frequently Asked Questions

What is the IUPAC name of sodium octadecyl-oxido-oxophosphanium?
The IUPAC name of sodium octadecyl-oxido-oxophosphanium (CID 88687817) is sodium octadecyl-oxido-oxophosphanium.
What is the SMILES notation for sodium octadecyl-oxido-oxophosphanium?
The canonical SMILES for sodium octadecyl-oxido-oxophosphanium is CCCCCCCCCCCCCCCCCC[P+](=O)[O-].[Na+].
What is the InChIKey of sodium octadecyl-oxido-oxophosphanium?
The InChIKey is TYFVIUICYJJWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O2P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20;/h2-18H2,1H3;/q;+1.
What are the key properties of sodium octadecyl-oxido-oxophosphanium?
sodium octadecyl-oxido-oxophosphanium has a molecular weight of 339.46 g/mol, XLogP of 3.35, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium octadecyl-oxido-oxophosphanium is sourced from PubChem (CID 88687817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).