lithium acetyl(butoxy)phosphinate

C6H12LiO4P — CID 90667332

IUPAClithium acetyl(butoxy)phosphinate
SMILESCCCCOP(=O)([O-])C(C)=O.[Li+]
InChIInChI=1S/C6H13O4P.Li/c1-3-4-5-10-11(8,9)6(2)7;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyGJKXEUNGDHDMKR-UHFFFAOYSA-M
MW186.07 g/mol
LogP-2.09
Rot. Bonds5

About lithium acetyl(butoxy)phosphinate

lithium acetyl(butoxy)phosphinate (PubChem CID 90667332) has the molecular formula C6H12LiO4P and a molecular weight of 186.07 g/mol. Its IUPAC name is lithium acetyl(butoxy)phosphinate.

Molecular Properties

Compound Namelithium acetyl(butoxy)phosphinate
PubChem CID90667332
Molecular FormulaC6H12LiO4P
Molecular Weight186.07 g/mol
Exact Mass186.06
IUPAC Namelithium acetyl(butoxy)phosphinate
SMILESCCCCOP(=O)([O-])C(C)=O.[Li+]
InChIInChI=1S/C6H13O4P.Li/c1-3-4-5-10-11(8,9)6(2)7;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyGJKXEUNGDHDMKR-UHFFFAOYSA-M
XLogP-2.09
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.07
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Butyl methylphosphinate
CID 10877172
Diethyl acetylphosphonate
CID 522997
Dimethyl acetylphosphonate
CID 2785315
Acetyl(ethoxy)phosphinic acid
CID 20532313
Butyl hydrogen acetylphosphonate
CID 76685170
Lithium acetyl(ethoxy)phosphinate
CID 90667331
Butyl methyl methylphosphonate
CID 574013
Lithium methoxy(propanoyl)phosphinate
CID 90667333
Lithium butanoyl(methoxy)phosphinate
CID 90667334
Dimethyl (1-oxopropyl)phosphonate
CID 298017
Butyl dimethyl phosphate
CID 581445
Propionylphosphonic Acid Diethyl Ester
CID 4410891

Frequently Asked Questions

What is the IUPAC name of lithium acetyl(butoxy)phosphinate?
The IUPAC name of lithium acetyl(butoxy)phosphinate (CID 90667332) is lithium acetyl(butoxy)phosphinate.
What is the SMILES notation for lithium acetyl(butoxy)phosphinate?
The canonical SMILES for lithium acetyl(butoxy)phosphinate is CCCCOP(=O)([O-])C(C)=O.[Li+].
What is the InChIKey of lithium acetyl(butoxy)phosphinate?
The InChIKey is GJKXEUNGDHDMKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13O4P.Li/c1-3-4-5-10-11(8,9)6(2)7;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1.
What are the key properties of lithium acetyl(butoxy)phosphinate?
lithium acetyl(butoxy)phosphinate has a molecular weight of 186.07 g/mol, XLogP of -2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium acetyl(butoxy)phosphinate is sourced from PubChem (CID 90667332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).