propan-2-yl 2-diethoxyphosphorylacetate

C9H19O5P — CID 12924868

IUPACpropan-2-yl 2-diethoxyphosphorylacetate
SMILESCCOP(=O)(CC(=O)OC(C)C)OCC
InChIInChI=1S/C9H19O5P/c1-5-12-15(11,13-6-2)7-9(10)14-8(3)4/h8H,5-7H2,1-4H3
InChIKeySWGMKWQNFIOGDY-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.20
Rot. Bonds7

About propan-2-yl 2-diethoxyphosphorylacetate

propan-2-yl 2-diethoxyphosphorylacetate (PubChem CID 12924868) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is propan-2-yl 2-diethoxyphosphorylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-diethoxyphosphorylacetate
PubChem CID12924868
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Namepropan-2-yl 2-diethoxyphosphorylacetate
SMILESCCOP(=O)(CC(=O)OC(C)C)OCC
InChIInChI=1S/C9H19O5P/c1-5-12-15(11,13-6-2)7-9(10)14-8(3)4/h8H,5-7H2,1-4H3
InChIKeySWGMKWQNFIOGDY-UHFFFAOYSA-N
XLogP2.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.20
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 propan-2-yl 2-diethoxyphosphorylacetate?
The IUPAC name of propan-2-yl 2-diethoxyphosphorylacetate (CID 12924868) is propan-2-yl 2-diethoxyphosphorylacetate.
What is the SMILES notation for propan-2-yl 2-diethoxyphosphorylacetate?
The canonical SMILES for propan-2-yl 2-diethoxyphosphorylacetate is CCOP(=O)(CC(=O)OC(C)C)OCC.
What is the InChIKey of propan-2-yl 2-diethoxyphosphorylacetate?
The InChIKey is SWGMKWQNFIOGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-5-12-15(11,13-6-2)7-9(10)14-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of propan-2-yl 2-diethoxyphosphorylacetate?
propan-2-yl 2-diethoxyphosphorylacetate has a molecular weight of 238.22 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-diethoxyphosphorylacetate is sourced from PubChem (CID 12924868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).