lithium 2-methylpentan-3-olate

C6H13LiO — CID 23698378

IUPAClithium 2-methylpentan-3-olate
SMILESCCC([O-])C(C)C.[Li+]
InChIInChI=1S/C6H13O.Li/c1-4-6(7)5(2)3;/h5-6H,4H2,1-3H3;/q-1;+1
InChIKeySQIVLTAUDJPRHT-UHFFFAOYSA-N
MW108.11 g/mol
LogP-2.21
Rot. Bonds2

About lithium 2-methylpentan-3-olate

lithium 2-methylpentan-3-olate (PubChem CID 23698378) has the molecular formula C6H13LiO and a molecular weight of 108.11 g/mol. Its IUPAC name is lithium 2-methylpentan-3-olate.

Molecular Properties

Compound Namelithium 2-methylpentan-3-olate
PubChem CID23698378
Molecular FormulaC6H13LiO
Molecular Weight108.11 g/mol
Exact Mass108.11
IUPAC Namelithium 2-methylpentan-3-olate
SMILESCCC([O-])C(C)C.[Li+]
InChIInChI=1S/C6H13O.Li/c1-4-6(7)5(2)3;/h5-6H,4H2,1-3H3;/q-1;+1
InChIKeySQIVLTAUDJPRHT-UHFFFAOYSA-N
XLogP-2.21
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.11
LogP ≤ 5-2.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze lithium 2-methylpentan-3-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 2-methylpentan-3-olate?
The IUPAC name of lithium 2-methylpentan-3-olate (CID 23698378) is lithium 2-methylpentan-3-olate.
What is the SMILES notation for lithium 2-methylpentan-3-olate?
The canonical SMILES for lithium 2-methylpentan-3-olate is CCC([O-])C(C)C.[Li+].
What is the InChIKey of lithium 2-methylpentan-3-olate?
The InChIKey is SQIVLTAUDJPRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.Li/c1-4-6(7)5(2)3;/h5-6H,4H2,1-3H3;/q-1;+1.
What are the key properties of lithium 2-methylpentan-3-olate?
lithium 2-methylpentan-3-olate has a molecular weight of 108.11 g/mol, XLogP of -2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylpentan-3-olate is sourced from PubChem (CID 23698378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).