1-diethylphosphorylethanone

C6H13O2P — CID 34551264

IUPAC1-diethylphosphorylethanone
SMILESCCP(=O)(CC)C(C)=O
InChIInChI=1S/C6H13O2P/c1-4-9(8,5-2)6(3)7/h4-5H2,1-3H3
InChIKeySEJVWDIPWPGALY-UHFFFAOYSA-N
MW148.14 g/mol
LogP1.94
Rot. Bonds3

About 1-diethylphosphorylethanone

1-diethylphosphorylethanone (PubChem CID 34551264) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is 1-diethylphosphorylethanone.

Molecular Properties

Compound Name1-diethylphosphorylethanone
PubChem CID34551264
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name1-diethylphosphorylethanone
SMILESCCP(=O)(CC)C(C)=O
InChIInChI=1S/C6H13O2P/c1-4-9(8,5-2)6(3)7/h4-5H2,1-3H3
InChIKeySEJVWDIPWPGALY-UHFFFAOYSA-N
XLogP1.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-diethylphosphorylethanone?
The IUPAC name of 1-diethylphosphorylethanone (CID 34551264) is 1-diethylphosphorylethanone.
What is the SMILES notation for 1-diethylphosphorylethanone?
The canonical SMILES for 1-diethylphosphorylethanone is CCP(=O)(CC)C(C)=O.
What is the InChIKey of 1-diethylphosphorylethanone?
The InChIKey is SEJVWDIPWPGALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2P/c1-4-9(8,5-2)6(3)7/h4-5H2,1-3H3.
What are the key properties of 1-diethylphosphorylethanone?
1-diethylphosphorylethanone has a molecular weight of 148.14 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethylphosphorylethanone is sourced from PubChem (CID 34551264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).