diethoxyphosphorylmethyl propanoate

C8H17O5P — CID 12709685

IUPACdiethoxyphosphorylmethyl propanoate
SMILESCCOP(=O)(COC(=O)CC)OCC
InChIInChI=1S/C8H17O5P/c1-4-8(9)11-7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
InChIKeyLNIPXLRNWAACMZ-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.16
Rot. Bonds7

About diethoxyphosphorylmethyl propanoate

diethoxyphosphorylmethyl propanoate (PubChem CID 12709685) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is diethoxyphosphorylmethyl propanoate.

Molecular Properties

Compound Namediethoxyphosphorylmethyl propanoate
PubChem CID12709685
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Namediethoxyphosphorylmethyl propanoate
SMILESCCOP(=O)(COC(=O)CC)OCC
InChIInChI=1S/C8H17O5P/c1-4-8(9)11-7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
InChIKeyLNIPXLRNWAACMZ-UHFFFAOYSA-N
XLogP2.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.16
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

1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
ethyl 2-diethoxyphosphorylacetate
CID 10911236
diethoxyphosphorylmethyl prop-2-enyl carbonate
CID 23420194
ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
bis(diethoxyphosphorylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 132582718
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
calcium;ethyl propanoate;hydride
CID 173132885
ethyl propanoate;tin(2+);dichloride
CID 171374953
3-diethoxyphosphorylpropan-1-amine;oxalic acid
CID 2733597
ethyl propanoate;methanesulfonic acid
CID 159764839
ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
CID 87652447

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethyl propanoate?
The IUPAC name of diethoxyphosphorylmethyl propanoate (CID 12709685) is diethoxyphosphorylmethyl propanoate.
What is the SMILES notation for diethoxyphosphorylmethyl propanoate?
The canonical SMILES for diethoxyphosphorylmethyl propanoate is CCOP(=O)(COC(=O)CC)OCC.
What is the InChIKey of diethoxyphosphorylmethyl propanoate?
The InChIKey is LNIPXLRNWAACMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-4-8(9)11-7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3.
What are the key properties of diethoxyphosphorylmethyl propanoate?
diethoxyphosphorylmethyl propanoate has a molecular weight of 224.19 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethyl propanoate is sourced from PubChem (CID 12709685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).