lithium butanoyl(methoxy)phosphinate

C5H10LiO4P — CID 90667334

IUPAClithium butanoyl(methoxy)phosphinate
SMILESCCCC(=O)P(=O)([O-])OC.[Li+]
InChIInChI=1S/C5H11O4P.Li/c1-3-4-5(6)10(7,8)9-2;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyMMJZXPFKKYJAQW-UHFFFAOYSA-M
MW172.05 g/mol
LogP-2.48
Rot. Bonds4

About lithium butanoyl(methoxy)phosphinate

lithium butanoyl(methoxy)phosphinate (PubChem CID 90667334) has the molecular formula C5H10LiO4P and a molecular weight of 172.05 g/mol. Its IUPAC name is lithium butanoyl(methoxy)phosphinate.

Molecular Properties

Compound Namelithium butanoyl(methoxy)phosphinate
PubChem CID90667334
Molecular FormulaC5H10LiO4P
Molecular Weight172.05 g/mol
Exact Mass172.05
IUPAC Namelithium butanoyl(methoxy)phosphinate
SMILESCCCC(=O)P(=O)([O-])OC.[Li+]
InChIInChI=1S/C5H11O4P.Li/c1-3-4-5(6)10(7,8)9-2;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyMMJZXPFKKYJAQW-UHFFFAOYSA-M
XLogP-2.48
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.05
LogP ≤ 5-2.48
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

Dimethyl acetylphosphonate
CID 2785315
Lithium acetyl(butoxy)phosphinate
CID 90667332
Lithium acetyl(ethoxy)phosphinate
CID 90667331
Phosphonic acid, (2,2-dimethyl-1-oxopropyl)-, dimethyl ester
CID 2752002
Lithium methoxy(propanoyl)phosphinate
CID 90667333
Lithium methoxy(pentanoyl)phosphinate
CID 90667335
Dimethyl (1-oxopropyl)phosphonate
CID 298017
Propionylphosphonic Acid Diethyl Ester
CID 4410891
Dimethyl (2-methyl-1-oxopropyl)phosphonate
CID 12633718
1-Dimethoxyphosphoryl-3-methylbutan-1-one
CID 15315722
Dimethyl butanoylphosphonate
CID 15685100
1-Dimethoxyphosphorylpentan-1-one
CID 15685103

Frequently Asked Questions

What is the IUPAC name of lithium butanoyl(methoxy)phosphinate?
The IUPAC name of lithium butanoyl(methoxy)phosphinate (CID 90667334) is lithium butanoyl(methoxy)phosphinate.
What is the SMILES notation for lithium butanoyl(methoxy)phosphinate?
The canonical SMILES for lithium butanoyl(methoxy)phosphinate is CCCC(=O)P(=O)([O-])OC.[Li+].
What is the InChIKey of lithium butanoyl(methoxy)phosphinate?
The InChIKey is MMJZXPFKKYJAQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O4P.Li/c1-3-4-5(6)10(7,8)9-2;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of lithium butanoyl(methoxy)phosphinate?
lithium butanoyl(methoxy)phosphinate has a molecular weight of 172.05 g/mol, XLogP of -2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium butanoyl(methoxy)phosphinate is sourced from PubChem (CID 90667334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).