lithium 2-methylpentane

C6H13Li — CID 11040628

IUPAClithium 2-methylpentane
SMILES[CH2-]CCC(C)C.[Li+]
InChIInChI=1S/C6H13.Li/c1-4-5-6(2)3;/h6H,1,4-5H2,2-3H3;/q-1;+1
InChIKeyBMNFHRAZGHSXLF-UHFFFAOYSA-N
MW92.11 g/mol
LogP-0.74
Rot. Bonds2

About lithium 2-methylpentane

lithium 2-methylpentane (PubChem CID 11040628) has the molecular formula C6H13Li and a molecular weight of 92.11 g/mol. Its IUPAC name is lithium 2-methylpentane.

Molecular Properties

Compound Namelithium 2-methylpentane
PubChem CID11040628
Molecular FormulaC6H13Li
Molecular Weight92.11 g/mol
Exact Mass92.12
IUPAC Namelithium 2-methylpentane
SMILES[CH2-]CCC(C)C.[Li+]
InChIInChI=1S/C6H13.Li/c1-4-5-6(2)3;/h6H,1,4-5H2,2-3H3;/q-1;+1
InChIKeyBMNFHRAZGHSXLF-UHFFFAOYSA-N
XLogP-0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium 2-methylpentane 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-methylpentane?
The IUPAC name of lithium 2-methylpentane (CID 11040628) is lithium 2-methylpentane.
What is the SMILES notation for lithium 2-methylpentane?
The canonical SMILES for lithium 2-methylpentane is [CH2-]CCC(C)C.[Li+].
What is the InChIKey of lithium 2-methylpentane?
The InChIKey is BMNFHRAZGHSXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.Li/c1-4-5-6(2)3;/h6H,1,4-5H2,2-3H3;/q-1;+1.
What are the key properties of lithium 2-methylpentane?
lithium 2-methylpentane has a molecular weight of 92.11 g/mol, XLogP of -0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylpentane is sourced from PubChem (CID 11040628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).