lithium 2-deuteriobutane

C4H9Li — CID 176900959

IUPAClithium 2-deuteriobutane
SMILES[2H][C-](C)CC.[Li+]
InChIInChI=1S/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3;/q-1;+1/i3D;
InChIKeyWGOPGODQLGJZGL-RFQDWOGUSA-N
MW65.06 g/mol
LogP-1.38
Rot. Bonds1

About lithium 2-deuteriobutane

lithium 2-deuteriobutane (PubChem CID 176900959) has the molecular formula C4H9Li and a molecular weight of 65.06 g/mol. Its IUPAC name is lithium 2-deuteriobutane.

Molecular Properties

Compound Namelithium 2-deuteriobutane
PubChem CID176900959
Molecular FormulaC4H9Li
Molecular Weight65.06 g/mol
Exact Mass65.09
IUPAC Namelithium 2-deuteriobutane
SMILES[2H][C-](C)CC.[Li+]
InChIInChI=1S/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3;/q-1;+1/i3D;
InChIKeyWGOPGODQLGJZGL-RFQDWOGUSA-N
XLogP-1.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50065.06
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze lithium 2-deuteriobutane 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-deuteriobutane?
The IUPAC name of lithium 2-deuteriobutane (CID 176900959) is lithium 2-deuteriobutane.
What is the SMILES notation for lithium 2-deuteriobutane?
The canonical SMILES for lithium 2-deuteriobutane is [2H][C-](C)CC.[Li+].
What is the InChIKey of lithium 2-deuteriobutane?
The InChIKey is WGOPGODQLGJZGL-RFQDWOGUSA-N. The full InChI is InChI=1S/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3;/q-1;+1/i3D;.
What are the key properties of lithium 2-deuteriobutane?
lithium 2-deuteriobutane has a molecular weight of 65.06 g/mol, XLogP of -1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-deuteriobutane is sourced from PubChem (CID 176900959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).