ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate

C12H25O5P — CID 178038484

IUPACethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate
SMILESCCOC(=O)CP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H25O5P/c1-8-15-10(13)9-18(14,16-11(2,3)4)17-12(5,6)7/h8-9H2,1-7H3
InChIKeyQVRIBLOANFNQBJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.37
Rot. Bonds5

About ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate

ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate (PubChem CID 178038484) has the molecular formula C12H25O5P and a molecular weight of 280.30 g/mol. Its IUPAC name is ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate.

Molecular Properties

Compound Nameethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate
PubChem CID178038484
Molecular FormulaC12H25O5P
Molecular Weight280.30 g/mol
Exact Mass280.14
IUPAC Nameethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate
SMILESCCOC(=O)CP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H25O5P/c1-8-15-10(13)9-18(14,16-11(2,3)4)17-12(5,6)7/h8-9H2,1-7H3
InChIKeyQVRIBLOANFNQBJ-UHFFFAOYSA-N
XLogP3.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.37
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

ethyl 2-diethoxyphosphorylacetate
CID 10911236
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 11759356
ethyl 2-diethylphosphorylacetate
CID 564639
ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
CID 87652447
ethyl 2-[butoxy(ethoxy)phosphoryl]acetate
CID 87358827
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
[(2-methylpropan-2-yl)oxy-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate
CID 122697879
ethyl 2-[ethoxy(formyl)phosphoryl]acetate
CID 59865519
1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]butane
CID 140980229
ethyl 3,3-dimethylbutanoate;methane
CID 167622566
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate
CID 125471896
tert-butyl 2-dimethoxyphosphorylacetate
CID 4564495

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate?
The IUPAC name of ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate (CID 178038484) is ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate.
What is the SMILES notation for ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate?
The canonical SMILES for ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate is CCOC(=O)CP(=O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate?
The InChIKey is QVRIBLOANFNQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O5P/c1-8-15-10(13)9-18(14,16-11(2,3)4)17-12(5,6)7/h8-9H2,1-7H3.
What are the key properties of ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate?
ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate has a molecular weight of 280.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate is sourced from PubChem (CID 178038484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).