methyl-oxo-(4-oxopentyl)phosphanium

C6H12O2P+ — CID 89067347

IUPACmethyl-oxo-(4-oxopentyl)phosphanium
SMILESCC(=O)CCC[P+](C)=O
InChIInChI=1S/C6H12O2P/c1-6(7)4-3-5-9(2)8/h3-5H2,1-2H3/q+1
InChIKeyXFZCNKNEAHLXJV-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.81
Rot. Bonds4

About methyl-oxo-(4-oxopentyl)phosphanium

methyl-oxo-(4-oxopentyl)phosphanium (PubChem CID 89067347) has the molecular formula C6H12O2P+ and a molecular weight of 147.13 g/mol. Its IUPAC name is methyl-oxo-(4-oxopentyl)phosphanium.

Molecular Properties

Compound Namemethyl-oxo-(4-oxopentyl)phosphanium
PubChem CID89067347
Molecular FormulaC6H12O2P+
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Namemethyl-oxo-(4-oxopentyl)phosphanium
SMILESCC(=O)CCC[P+](C)=O
InChIInChI=1S/C6H12O2P/c1-6(7)4-3-5-9(2)8/h3-5H2,1-2H3/q+1
InChIKeyXFZCNKNEAHLXJV-UHFFFAOYSA-N
XLogP1.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxido-oxo-(5-oxohexyl)phosphanium
CID 11063118
sodium oxido-oxo-(5-oxohexyl)phosphanium
CID 23707633
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
hexane-2,5-dione
CID 8035
5-hydroxypentan-2-one
CID 162230963
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
nonadecane-2,6,10,14,18-pentone
CID 539058
tricosane-2,6,10,14,18,22-hexone
CID 537144
CID 59102011
CID 59102011
5-[chloro(dimethyl)silyl]pentan-2-one
CID 166025263
hexan-2-one;molecular nitrogen
CID 174442577

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-(4-oxopentyl)phosphanium?
The IUPAC name of methyl-oxo-(4-oxopentyl)phosphanium (CID 89067347) is methyl-oxo-(4-oxopentyl)phosphanium.
What is the SMILES notation for methyl-oxo-(4-oxopentyl)phosphanium?
The canonical SMILES for methyl-oxo-(4-oxopentyl)phosphanium is CC(=O)CCC[P+](C)=O.
What is the InChIKey of methyl-oxo-(4-oxopentyl)phosphanium?
The InChIKey is XFZCNKNEAHLXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2P/c1-6(7)4-3-5-9(2)8/h3-5H2,1-2H3/q+1.
What are the key properties of methyl-oxo-(4-oxopentyl)phosphanium?
methyl-oxo-(4-oxopentyl)phosphanium has a molecular weight of 147.13 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-(4-oxopentyl)phosphanium is sourced from PubChem (CID 89067347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).