lithium acetyl(ethoxy)phosphinate

C4H8LiO4P — CID 90667331

IUPAClithium acetyl(ethoxy)phosphinate
SMILESCCOP(=O)([O-])C(C)=O.[Li+]
InChIInChI=1S/C4H9O4P.Li/c1-3-8-9(6,7)4(2)5;/h3H2,1-2H3,(H,6,7);/q;+1/p-1
InChIKeyAXFUCZXBDDVJNY-UHFFFAOYSA-M
MW158.02 g/mol
LogP-2.87
Rot. Bonds3

About lithium acetyl(ethoxy)phosphinate

lithium acetyl(ethoxy)phosphinate (PubChem CID 90667331) has the molecular formula C4H8LiO4P and a molecular weight of 158.02 g/mol. Its IUPAC name is lithium acetyl(ethoxy)phosphinate.

Molecular Properties

Compound Namelithium acetyl(ethoxy)phosphinate
PubChem CID90667331
Molecular FormulaC4H8LiO4P
Molecular Weight158.02 g/mol
Exact Mass158.03
IUPAC Namelithium acetyl(ethoxy)phosphinate
SMILESCCOP(=O)([O-])C(C)=O.[Li+]
InChIInChI=1S/C4H9O4P.Li/c1-3-8-9(6,7)4(2)5;/h3H2,1-2H3,(H,6,7);/q;+1/p-1
InChIKeyAXFUCZXBDDVJNY-UHFFFAOYSA-M
XLogP-2.87
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.02
LogP ≤ 5-2.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl acetylphosphonate
CID 522997
Diethyl (2-oxoethyl)phosphonate
CID 342159
Dimethyl acetylphosphonate
CID 2785315
Lithium acetyl(methoxy)phosphinate
CID 90667330
Acetyl(ethoxy)phosphinic acid
CID 20532313
Butyl hydrogen acetylphosphonate
CID 76685170
Lithium acetyl(butoxy)phosphinate
CID 90667332
Lithium methoxy(propanoyl)phosphinate
CID 90667333
Lithium butanoyl(methoxy)phosphinate
CID 90667334
Dimethyl (1-oxopropyl)phosphonate
CID 298017
Propionylphosphonic Acid Diethyl Ester
CID 4410891
Diethyl lithiomethanephosphonate
CID 11829705

Frequently Asked Questions

What is the IUPAC name of lithium acetyl(ethoxy)phosphinate?
The IUPAC name of lithium acetyl(ethoxy)phosphinate (CID 90667331) is lithium acetyl(ethoxy)phosphinate.
What is the SMILES notation for lithium acetyl(ethoxy)phosphinate?
The canonical SMILES for lithium acetyl(ethoxy)phosphinate is CCOP(=O)([O-])C(C)=O.[Li+].
What is the InChIKey of lithium acetyl(ethoxy)phosphinate?
The InChIKey is AXFUCZXBDDVJNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O4P.Li/c1-3-8-9(6,7)4(2)5;/h3H2,1-2H3,(H,6,7);/q;+1/p-1.
What are the key properties of lithium acetyl(ethoxy)phosphinate?
lithium acetyl(ethoxy)phosphinate has a molecular weight of 158.02 g/mol, XLogP of -2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium acetyl(ethoxy)phosphinate is sourced from PubChem (CID 90667331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).