lithium buta-1,3-diene

C4H5Li — CID 10877045

IUPAClithium buta-1,3-diene
SMILES[H]/[C-]=C\C=C.[Li+]
InChIInChI=1S/C4H5.Li/c1-3-4-2;/h1,3-4H,2H2;/q-1;+1
InChIKeyVGZAQFZMGMSMEK-UHFFFAOYSA-N
MW60.02 g/mol
LogP-1.83
Rot. Bonds1

About lithium buta-1,3-diene

lithium buta-1,3-diene (PubChem CID 10877045) has the molecular formula C4H5Li and a molecular weight of 60.02 g/mol. Its IUPAC name is lithium buta-1,3-diene.

Molecular Properties

Compound Namelithium buta-1,3-diene
PubChem CID10877045
Molecular FormulaC4H5Li
Molecular Weight60.02 g/mol
Exact Mass60.06
IUPAC Namelithium buta-1,3-diene
SMILES[H]/[C-]=C\C=C.[Li+]
InChIInChI=1S/C4H5.Li/c1-3-4-2;/h1,3-4H,2H2;/q-1;+1
InChIKeyVGZAQFZMGMSMEK-UHFFFAOYSA-N
XLogP-1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.02
LogP ≤ 5-1.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium buta-1,3-diene?
The IUPAC name of lithium buta-1,3-diene (CID 10877045) is lithium buta-1,3-diene.
What is the SMILES notation for lithium buta-1,3-diene?
The canonical SMILES for lithium buta-1,3-diene is [H]/[C-]=C\C=C.[Li+].
What is the InChIKey of lithium buta-1,3-diene?
The InChIKey is VGZAQFZMGMSMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5.Li/c1-3-4-2;/h1,3-4H,2H2;/q-1;+1.
What are the key properties of lithium buta-1,3-diene?
lithium buta-1,3-diene has a molecular weight of 60.02 g/mol, XLogP of -1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium buta-1,3-diene is sourced from PubChem (CID 10877045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).