oxido-oxo-(5-oxohexyl)phosphanium

C6H11O3P — CID 11063118

IUPACoxido-oxo-(5-oxohexyl)phosphanium
SMILESCC(=O)CCCC[P+](=O)[O-]
InChIInChI=1S/C6H11O3P/c1-6(7)4-2-3-5-10(8)9/h2-5H2,1H3
InChIKeyPUCVEGXWDYANSM-UHFFFAOYSA-N
MW162.12 g/mol
LogP0.85
Rot. Bonds5

About oxido-oxo-(5-oxohexyl)phosphanium

oxido-oxo-(5-oxohexyl)phosphanium (PubChem CID 11063118) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is oxido-oxo-(5-oxohexyl)phosphanium.

Molecular Properties

Compound Nameoxido-oxo-(5-oxohexyl)phosphanium
PubChem CID11063118
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Nameoxido-oxo-(5-oxohexyl)phosphanium
SMILESCC(=O)CCCC[P+](=O)[O-]
InChIInChI=1S/C6H11O3P/c1-6(7)4-2-3-5-10(8)9/h2-5H2,1H3
InChIKeyPUCVEGXWDYANSM-UHFFFAOYSA-N
XLogP0.85
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 50.85
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'}

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Related Compounds

sodium oxido-oxo-(5-oxohexyl)phosphanium
CID 23707633
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
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
sodium octadecyl-oxido-oxophosphanium
CID 88687817
6-iodohexan-2-one
CID 11390494
1-hydroxyoctane-2,7-dione
CID 19604643
nonan-2-one
CID 13187
octadecakis(hexane);nonan-2-one
CID 173226284
21-hydroxyhenicosan-2-one
CID 153324955

Frequently Asked Questions

What is the IUPAC name of oxido-oxo-(5-oxohexyl)phosphanium?
The IUPAC name of oxido-oxo-(5-oxohexyl)phosphanium (CID 11063118) is oxido-oxo-(5-oxohexyl)phosphanium.
What is the SMILES notation for oxido-oxo-(5-oxohexyl)phosphanium?
The canonical SMILES for oxido-oxo-(5-oxohexyl)phosphanium is CC(=O)CCCC[P+](=O)[O-].
What is the InChIKey of oxido-oxo-(5-oxohexyl)phosphanium?
The InChIKey is PUCVEGXWDYANSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3P/c1-6(7)4-2-3-5-10(8)9/h2-5H2,1H3.
What are the key properties of oxido-oxo-(5-oxohexyl)phosphanium?
oxido-oxo-(5-oxohexyl)phosphanium has a molecular weight of 162.12 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-oxo-(5-oxohexyl)phosphanium is sourced from PubChem (CID 11063118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).