lithium 2-methylpentanoate

C6H11LiO2 — CID 122554466

IUPAClithium 2-methylpentanoate
SMILESCCCC(C)C(=O)[O-].[Li+]
InChIInChI=1S/C6H12O2.Li/c1-3-4-5(2)6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyIESARDCYEIFBJX-UHFFFAOYSA-M
MW122.09 g/mol
LogP-2.82
Rot. Bonds3

About lithium 2-methylpentanoate

lithium 2-methylpentanoate (PubChem CID 122554466) has the molecular formula C6H11LiO2 and a molecular weight of 122.09 g/mol. Its IUPAC name is lithium 2-methylpentanoate.

Molecular Properties

Compound Namelithium 2-methylpentanoate
PubChem CID122554466
Molecular FormulaC6H11LiO2
Molecular Weight122.09 g/mol
Exact Mass122.09
IUPAC Namelithium 2-methylpentanoate
SMILESCCCC(C)C(=O)[O-].[Li+]
InChIInChI=1S/C6H12O2.Li/c1-3-4-5(2)6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyIESARDCYEIFBJX-UHFFFAOYSA-M
XLogP-2.82
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 5-2.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

magnesium bis(2-methylpentanoate)
CID 140813982
(2R)-2-methylhexanoate
CID 6999857
(6S)-4,6-dimethylnonan-5-one
CID 177467625
copper bis(2-methylhexanoate)
CID 19768945
magnesium bis(2-methylnonanoate)
CID 175226104
dilithium bis(2-propylpentanoate)
CID 140557398
2-methylbutanoate
CID 91073357
(2R)-4-azaniumyl-2-methylbutanoate
CID 6954860
lithium;potassium;2-propylpropanedioate
CID 139411515
sodium 4-hydroxy-2-methylbutanoate
CID 23695196
magnesium bis(2-methylbutanoate)
CID 88739715
cobalt(2+);bis((2R)-2-methylbutanoate)
CID 90199434

Frequently Asked Questions

What is the IUPAC name of lithium 2-methylpentanoate?
The IUPAC name of lithium 2-methylpentanoate (CID 122554466) is lithium 2-methylpentanoate.
What is the SMILES notation for lithium 2-methylpentanoate?
The canonical SMILES for lithium 2-methylpentanoate is CCCC(C)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-methylpentanoate?
The InChIKey is IESARDCYEIFBJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O2.Li/c1-3-4-5(2)6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of lithium 2-methylpentanoate?
lithium 2-methylpentanoate has a molecular weight of 122.09 g/mol, XLogP of -2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylpentanoate is sourced from PubChem (CID 122554466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).