lithium but-2-yne

C4H5Li — CID 10920439

IUPAClithium but-2-yne
SMILES[CH2-]C#CC.[Li+]
InChIInChI=1S/C4H5.Li/c1-3-4-2;/h1H2,2H3;/q-1;+1
InChIKeyMXXMCOOHBQAOFT-UHFFFAOYSA-N
MW60.02 g/mol
LogP-2.15
Rot. Bonds

About lithium but-2-yne

lithium but-2-yne (PubChem CID 10920439) has the molecular formula C4H5Li and a molecular weight of 60.02 g/mol. Its IUPAC name is lithium but-2-yne.

Molecular Properties

Compound Namelithium but-2-yne
PubChem CID10920439
Molecular FormulaC4H5Li
Molecular Weight60.02 g/mol
Exact Mass60.06
IUPAC Namelithium but-2-yne
SMILES[CH2-]C#CC.[Li+]
InChIInChI=1S/C4H5.Li/c1-3-4-2;/h1H2,2H3;/q-1;+1
InChIKeyMXXMCOOHBQAOFT-UHFFFAOYSA-N
XLogP-2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.02
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium but-2-yne?
The IUPAC name of lithium but-2-yne (CID 10920439) is lithium but-2-yne.
What is the SMILES notation for lithium but-2-yne?
The canonical SMILES for lithium but-2-yne is [CH2-]C#CC.[Li+].
What is the InChIKey of lithium but-2-yne?
The InChIKey is MXXMCOOHBQAOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5.Li/c1-3-4-2;/h1H2,2H3;/q-1;+1.
What are the key properties of lithium but-2-yne?
lithium but-2-yne has a molecular weight of 60.02 g/mol, XLogP of -2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium but-2-yne is sourced from PubChem (CID 10920439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).