1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one

C9H19O5P — CID 23272881

IUPAC1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one
SMILESCCOC(C)P(=O)(OCC)OCC(C)=O
InChIInChI=1S/C9H19O5P/c1-5-12-9(4)15(11,13-6-2)14-7-8(3)10/h9H,5-7H2,1-4H3
InChIKeyKXAGNYIVZKCFBF-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.20
Rot. Bonds8

About 1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one

1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one (PubChem CID 23272881) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one.

Molecular Properties

Compound Name1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one
PubChem CID23272881
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one
SMILESCCOC(C)P(=O)(OCC)OCC(C)=O
InChIInChI=1S/C9H19O5P/c1-5-12-9(4)15(11,13-6-2)14-7-8(3)10/h9H,5-7H2,1-4H3
InChIKeyKXAGNYIVZKCFBF-UHFFFAOYSA-N
XLogP2.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
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 1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one?
The IUPAC name of 1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one (CID 23272881) is 1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one.
What is the SMILES notation for 1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one?
The canonical SMILES for 1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one is CCOC(C)P(=O)(OCC)OCC(C)=O.
What is the InChIKey of 1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one?
The InChIKey is KXAGNYIVZKCFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-5-12-9(4)15(11,13-6-2)14-7-8(3)10/h9H,5-7H2,1-4H3.
What are the key properties of 1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one?
1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one has a molecular weight of 238.22 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one is sourced from PubChem (CID 23272881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).