[acetyloxy(ethyl)phosphoryl] acetate

C6H11O5P — CID 173089018

IUPAC[acetyloxy(ethyl)phosphoryl] acetate
SMILESCCP(=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C6H11O5P/c1-4-12(9,10-5(2)7)11-6(3)8/h4H2,1-3H3
InChIKeySJQZIVXSOKPFRF-UHFFFAOYSA-N
MW194.12 g/mol
LogP1.33
Rot. Bonds3

About [acetyloxy(ethyl)phosphoryl] acetate

[acetyloxy(ethyl)phosphoryl] acetate (PubChem CID 173089018) has the molecular formula C6H11O5P and a molecular weight of 194.12 g/mol. Its IUPAC name is [acetyloxy(ethyl)phosphoryl] acetate.

Molecular Properties

Compound Name[acetyloxy(ethyl)phosphoryl] acetate
PubChem CID173089018
Molecular FormulaC6H11O5P
Molecular Weight194.12 g/mol
Exact Mass194.03
IUPAC Name[acetyloxy(ethyl)phosphoryl] acetate
SMILESCCP(=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C6H11O5P/c1-4-12(9,10-5(2)7)11-6(3)8/h4H2,1-3H3
InChIKeySJQZIVXSOKPFRF-UHFFFAOYSA-N
XLogP1.33
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
CID 91654231
dimethylphosphoryl acetate
CID 87462570
diacetyloxyphosphoryl acetate;hydrate
CID 129021524
N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide
CID 54217472
lithium;diacetyloxyphosphoryl acetate;hydride
CID 175589936
lithium;potassium;phosphono acetate
CID 71300541
magnesium bis(diacetyl phosphate)
CID 71300565
dioctylphosphoryl acetate
CID 159021834
[methoxy(methyl)phosphoryl] acetate
CID 10034798
calcium;[acetyl(acetyloxy)phosphoryl] acetate;hydride
CID 175481862
acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate
CID 88649282
ditert-butylphosphoryl acetate
CID 87532460

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(ethyl)phosphoryl] acetate?
The IUPAC name of [acetyloxy(ethyl)phosphoryl] acetate (CID 173089018) is [acetyloxy(ethyl)phosphoryl] acetate.
What is the SMILES notation for [acetyloxy(ethyl)phosphoryl] acetate?
The canonical SMILES for [acetyloxy(ethyl)phosphoryl] acetate is CCP(=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy(ethyl)phosphoryl] acetate?
The InChIKey is SJQZIVXSOKPFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O5P/c1-4-12(9,10-5(2)7)11-6(3)8/h4H2,1-3H3.
What are the key properties of [acetyloxy(ethyl)phosphoryl] acetate?
[acetyloxy(ethyl)phosphoryl] acetate has a molecular weight of 194.12 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(ethyl)phosphoryl] acetate is sourced from PubChem (CID 173089018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).