sodium oxido-oxo-(5-oxohexyl)phosphanium

C6H11NaO3P+ — CID 23707633

IUPACsodium oxido-oxo-(5-oxohexyl)phosphanium
SMILESCC(=O)CCCC[P+](=O)[O-].[Na+]
InChIInChI=1S/C6H11O3P.Na/c1-6(7)4-2-3-5-10(8)9;/h2-5H2,1H3;/q;+1
InChIKeyBCLGRPLFCBRETB-UHFFFAOYSA-N
MW185.11 g/mol
LogP-2.15
Rot. Bonds5

About sodium oxido-oxo-(5-oxohexyl)phosphanium

sodium oxido-oxo-(5-oxohexyl)phosphanium (PubChem CID 23707633) has the molecular formula C6H11NaO3P+ and a molecular weight of 185.11 g/mol. Its IUPAC name is sodium oxido-oxo-(5-oxohexyl)phosphanium.

Molecular Properties

Compound Namesodium oxido-oxo-(5-oxohexyl)phosphanium
PubChem CID23707633
Molecular FormulaC6H11NaO3P+
Molecular Weight185.11 g/mol
Exact Mass185.03
IUPAC Namesodium oxido-oxo-(5-oxohexyl)phosphanium
SMILESCC(=O)CCCC[P+](=O)[O-].[Na+]
InChIInChI=1S/C6H11O3P.Na/c1-6(7)4-2-3-5-10(8)9;/h2-5H2,1H3;/q;+1
InChIKeyBCLGRPLFCBRETB-UHFFFAOYSA-N
XLogP-2.15
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.11
LogP ≤ 5-2.15
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 oxido-oxo-(5-oxohexyl)phosphanium 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

oxido-oxo-(5-oxohexyl)phosphanium
CID 11063118
10-carboxydecyl-oxido-oxophosphanium
CID 102297896
methyl-oxo-(4-oxopentyl)phosphanium
CID 89067347
dotriactane-2,7,8,13,14,19,20,25,26,31,32,37,38,43,44,49,50,55,56,61,62,67,68,73,74,79,80,85,86,91,92,97,98,103,104,109,110,115,116,121,122,127,128,133,134,139,140,145,146,151,152,157,158,163,164,169,170,175,176,181,182,187,188,193,194,199,200,205,206,211,212,217,218,223,224,229,230,235,236,241,242,247,248,253,254,259,260,265,266,271,272,277,278,283,284,289,290,295,296,301-hectone
CID 140812366
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
sodium octadecyl-oxido-oxophosphanium
CID 88687817
disodium;3-phosphopropanoate
CID 21232047
sodium;ethane;heptadecan-2-one
CID 167668217
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
6-iodohexan-2-one
CID 11390494

Frequently Asked Questions

What is the IUPAC name of sodium oxido-oxo-(5-oxohexyl)phosphanium?
The IUPAC name of sodium oxido-oxo-(5-oxohexyl)phosphanium (CID 23707633) is sodium oxido-oxo-(5-oxohexyl)phosphanium.
What is the SMILES notation for sodium oxido-oxo-(5-oxohexyl)phosphanium?
The canonical SMILES for sodium oxido-oxo-(5-oxohexyl)phosphanium is CC(=O)CCCC[P+](=O)[O-].[Na+].
What is the InChIKey of sodium oxido-oxo-(5-oxohexyl)phosphanium?
The InChIKey is BCLGRPLFCBRETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3P.Na/c1-6(7)4-2-3-5-10(8)9;/h2-5H2,1H3;/q;+1.
What are the key properties of sodium oxido-oxo-(5-oxohexyl)phosphanium?
sodium oxido-oxo-(5-oxohexyl)phosphanium has a molecular weight of 185.11 g/mol, XLogP of -2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-(5-oxohexyl)phosphanium is sourced from PubChem (CID 23707633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).