1-diethoxyphosphoryl-1-methoxypropan-2-one

C8H17O5P — CID 14403412

IUPAC1-diethoxyphosphoryl-1-methoxypropan-2-one
SMILESCCOP(=O)(OCC)C(OC)C(C)=O
InChIInChI=1S/C8H17O5P/c1-5-12-14(10,13-6-2)8(11-4)7(3)9/h8H,5-6H2,1-4H3
InChIKeyGGNYYXJRUCQWJH-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.81
Rot. Bonds7

About 1-diethoxyphosphoryl-1-methoxypropan-2-one

1-diethoxyphosphoryl-1-methoxypropan-2-one (PubChem CID 14403412) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-methoxypropan-2-one
PubChem CID14403412
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name1-diethoxyphosphoryl-1-methoxypropan-2-one
SMILESCCOP(=O)(OCC)C(OC)C(C)=O
InChIInChI=1S/C8H17O5P/c1-5-12-14(10,13-6-2)8(11-4)7(3)9/h8H,5-6H2,1-4H3
InChIKeyGGNYYXJRUCQWJH-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
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-diethoxyphosphoryl-1-methoxypropan-2-one?
The IUPAC name of 1-diethoxyphosphoryl-1-methoxypropan-2-one (CID 14403412) is 1-diethoxyphosphoryl-1-methoxypropan-2-one.
What is the SMILES notation for 1-diethoxyphosphoryl-1-methoxypropan-2-one?
The canonical SMILES for 1-diethoxyphosphoryl-1-methoxypropan-2-one is CCOP(=O)(OCC)C(OC)C(C)=O.
What is the InChIKey of 1-diethoxyphosphoryl-1-methoxypropan-2-one?
The InChIKey is GGNYYXJRUCQWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-5-12-14(10,13-6-2)8(11-4)7(3)9/h8H,5-6H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-1-methoxypropan-2-one?
1-diethoxyphosphoryl-1-methoxypropan-2-one has a molecular weight of 224.19 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-methoxypropan-2-one is sourced from PubChem (CID 14403412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).