ethyl-(2-methylpropanoyloxy)-oxophosphanium

C6H12O3P+ — CID 175345957

IUPACethyl-(2-methylpropanoyloxy)-oxophosphanium
SMILESCC[P+](=O)OC(=O)C(C)C
InChIInChI=1S/C6H12O3P/c1-4-10(8)9-6(7)5(2)3/h5H,4H2,1-3H3/q+1
InChIKeyDLSRBJXBSZGYMK-UHFFFAOYSA-N
MW163.13 g/mol
LogP1.95
Rot. Bonds3

About ethyl-(2-methylpropanoyloxy)-oxophosphanium

ethyl-(2-methylpropanoyloxy)-oxophosphanium (PubChem CID 175345957) has the molecular formula C6H12O3P+ and a molecular weight of 163.13 g/mol. Its IUPAC name is ethyl-(2-methylpropanoyloxy)-oxophosphanium.

Molecular Properties

Compound Nameethyl-(2-methylpropanoyloxy)-oxophosphanium
PubChem CID175345957
Molecular FormulaC6H12O3P+
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Nameethyl-(2-methylpropanoyloxy)-oxophosphanium
SMILESCC[P+](=O)OC(=O)C(C)C
InChIInChI=1S/C6H12O3P/c1-4-10(8)9-6(7)5(2)3/h5H,4H2,1-3H3/q+1
InChIKeyDLSRBJXBSZGYMK-UHFFFAOYSA-N
XLogP1.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl-hydroperoxy-oxophosphanium
CID 59017728
ethane;propane;prop-2-enyl 2-methylpropanoate
CID 158123161
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
ethyl 2-methylpropanoate;formic acid
CID 175762228
2-ethylbutyl 2-methylpropanoate
CID 551315
ethyl 2-methylpropanoate;pentachloro-λ5-stibane
CID 139244131
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
CID 153317793
2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
CID 156731483
2-aminobutyl 2-methylpropanoate
CID 123412425
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
dimethylphosphoryl 2-methylpropanoate
CID 87754367

Frequently Asked Questions

What is the IUPAC name of ethyl-(2-methylpropanoyloxy)-oxophosphanium?
The IUPAC name of ethyl-(2-methylpropanoyloxy)-oxophosphanium (CID 175345957) is ethyl-(2-methylpropanoyloxy)-oxophosphanium.
What is the SMILES notation for ethyl-(2-methylpropanoyloxy)-oxophosphanium?
The canonical SMILES for ethyl-(2-methylpropanoyloxy)-oxophosphanium is CC[P+](=O)OC(=O)C(C)C.
What is the InChIKey of ethyl-(2-methylpropanoyloxy)-oxophosphanium?
The InChIKey is DLSRBJXBSZGYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3P/c1-4-10(8)9-6(7)5(2)3/h5H,4H2,1-3H3/q+1.
What are the key properties of ethyl-(2-methylpropanoyloxy)-oxophosphanium?
ethyl-(2-methylpropanoyloxy)-oxophosphanium has a molecular weight of 163.13 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-methylpropanoyloxy)-oxophosphanium is sourced from PubChem (CID 175345957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).