lithium methoxy(propanoyl)phosphinate

C4H8LiO4P — CID 90667333

IUPAClithium methoxy(propanoyl)phosphinate
SMILESCCC(=O)P(=O)([O-])OC.[Li+]
InChIInChI=1S/C4H9O4P.Li/c1-3-4(5)9(6,7)8-2;/h3H2,1-2H3,(H,6,7);/q;+1/p-1
InChIKeyUBXIPKFRNBYYBA-UHFFFAOYSA-M
MW158.02 g/mol
LogP-2.87
Rot. Bonds3

About lithium methoxy(propanoyl)phosphinate

lithium methoxy(propanoyl)phosphinate (PubChem CID 90667333) has the molecular formula C4H8LiO4P and a molecular weight of 158.02 g/mol. Its IUPAC name is lithium methoxy(propanoyl)phosphinate.

Molecular Properties

Compound Namelithium methoxy(propanoyl)phosphinate
PubChem CID90667333
Molecular FormulaC4H8LiO4P
Molecular Weight158.02 g/mol
Exact Mass158.03
IUPAC Namelithium methoxy(propanoyl)phosphinate
SMILESCCC(=O)P(=O)([O-])OC.[Li+]
InChIInChI=1S/C4H9O4P.Li/c1-3-4(5)9(6,7)8-2;/h3H2,1-2H3,(H,6,7);/q;+1/p-1
InChIKeyUBXIPKFRNBYYBA-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
Dimethyl acetylphosphonate
CID 2785315
Lithium acetyl(butoxy)phosphinate
CID 90667332
Phosphonic acid, (2-oxobutyl)-, dimethyl ester
CID 10856066
Lithium acetyl(ethoxy)phosphinate
CID 90667331
Phosphonic acid, (2,2-dimethyl-1-oxopropyl)-, dimethyl ester
CID 2752002
Lithium butanoyl(methoxy)phosphinate
CID 90667334
Lithium methoxy(pentanoyl)phosphinate
CID 90667335
Dimethyl (1-oxopropyl)phosphonate
CID 298017
Propionylphosphonic Acid Diethyl Ester
CID 4410891
Phosphonic acid, (1-methyl-2-oxopropyl)-, dimethyl ester
CID 11073986
Dimethyl (2-methyl-1-oxopropyl)phosphonate
CID 12633718

Frequently Asked Questions

What is the IUPAC name of lithium methoxy(propanoyl)phosphinate?
The IUPAC name of lithium methoxy(propanoyl)phosphinate (CID 90667333) is lithium methoxy(propanoyl)phosphinate.
What is the SMILES notation for lithium methoxy(propanoyl)phosphinate?
The canonical SMILES for lithium methoxy(propanoyl)phosphinate is CCC(=O)P(=O)([O-])OC.[Li+].
What is the InChIKey of lithium methoxy(propanoyl)phosphinate?
The InChIKey is UBXIPKFRNBYYBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O4P.Li/c1-3-4(5)9(6,7)8-2;/h3H2,1-2H3,(H,6,7);/q;+1/p-1.
What are the key properties of lithium methoxy(propanoyl)phosphinate?
lithium methoxy(propanoyl)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 methoxy(propanoyl)phosphinate is sourced from PubChem (CID 90667333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).