ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid

C7H15O5P — CID 175420314

IUPACethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid
SMILESCCOCP(=O)(O)CCC(=O)OC
InChIInChI=1S/C7H15O5P/c1-3-12-6-13(9,10)5-4-7(8)11-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyDIKNBGIHWGWWOO-UHFFFAOYSA-N
MW210.17 g/mol
LogP0.81
Rot. Bonds6

About ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid

ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid (PubChem CID 175420314) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid.

Molecular Properties

Compound Nameethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid
PubChem CID175420314
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Nameethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid
SMILESCCOCP(=O)(O)CCC(=O)OC
InChIInChI=1S/C7H15O5P/c1-3-12-6-13(9,10)5-4-7(8)11-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyDIKNBGIHWGWWOO-UHFFFAOYSA-N
XLogP0.81
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid
CID 15757545
4-O-ethyl 1-O-methyl butanedioate
CID 522068
(3-methoxy-3-oxopropyl)-[3-[1-(methylamino)hexylamino]-3-oxopropyl]phosphinic acid
CID 143623798
bis(3-oxobutoxymethyl)phosphinic acid
CID 58925213
chromium;methyl butanoate
CID 174781983
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl butanoate;tetrahydrochloride
CID 173289582
sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate
CID 88728962
1-ethoxypropan-2-one;methyl propanoate
CID 158504783
ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858
diethyl 2-[diethoxy-(3-methoxy-3-oxopropyl)-λ5-phosphanylidene]propanedioate
CID 23416460
CID 87773794
CID 87773794

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid?
The IUPAC name of ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid (CID 175420314) is ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid.
What is the SMILES notation for ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid?
The canonical SMILES for ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid is CCOCP(=O)(O)CCC(=O)OC.
What is the InChIKey of ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid?
The InChIKey is DIKNBGIHWGWWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-3-12-6-13(9,10)5-4-7(8)11-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid?
ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid has a molecular weight of 210.17 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid is sourced from PubChem (CID 175420314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).