lithium(1+) ion heptanoate

• ChemBase ID: 106785
• Molecular Formular: C7H13LiO2
• Molecular Mass: 136.11792
• Monoisotopic Mass: 136.10755921
• SMILES: [Li+].CCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCC(=O)[O-].[Li+]
• InChI: InChI=1S/C7H14O2.Li/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);/q;+1/p-1
• InChIKey: RQZHWDLISAJCLK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion heptanoate
• IUPAC Traditional name: LithoTab enanthate
• Synonyms: LITHIUM HEPTANOATE

Database IDs

• PubChem SID: 162105633
• PubChem CID: 23665556

CALCULATED PROPERTIES

• Acid pKa: 5.147893
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7439224
• LogD (pH = 7.4): 0.023280375
• Log P: 2.2554648
• Molar Refractivity: 46.5117 cm^3
• Polarizability: 14.028643 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201407

MP Biomedicals Rare Chemical collection