(1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid

C7H13O6P — CID 140811017

IUPAC(1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(OC(C)=O)C(C)=O
InChIInChI=1S/C7H13O6P/c1-4-12-14(10,11)7(5(2)8)13-6(3)9/h7H,4H2,1-3H3,(H,10,11)
InChIKeyMJHIXTZSEAHDIQ-UHFFFAOYSA-N
MW224.15 g/mol
LogP0.69
Rot. Bonds5

About (1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid

(1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid (PubChem CID 140811017) has the molecular formula C7H13O6P and a molecular weight of 224.15 g/mol. Its IUPAC name is (1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid
PubChem CID140811017
Molecular FormulaC7H13O6P
Molecular Weight224.15 g/mol
Exact Mass224.04
IUPAC Name(1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(OC(C)=O)C(C)=O
InChIInChI=1S/C7H13O6P/c1-4-12-14(10,11)7(5(2)8)13-6(3)9/h7H,4H2,1-3H3,(H,10,11)
InChIKeyMJHIXTZSEAHDIQ-UHFFFAOYSA-N
XLogP0.69
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid?
The IUPAC name of (1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid (CID 140811017) is (1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid.
What is the SMILES notation for (1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid?
The canonical SMILES for (1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid is CCOP(=O)(O)C(OC(C)=O)C(C)=O.
What is the InChIKey of (1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid?
The InChIKey is MJHIXTZSEAHDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O6P/c1-4-12-14(10,11)7(5(2)8)13-6(3)9/h7H,4H2,1-3H3,(H,10,11).
What are the key properties of (1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid?
(1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid has a molecular weight of 224.15 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2-oxopropyl)-ethoxyphosphinic acid is sourced from PubChem (CID 140811017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).