lithium hex-2-yne

C6H9Li — CID 71319787

About lithium hex-2-yne

lithium hex-2-yne (PubChem CID 71319787) has the molecular formula C6H9Li and a molecular weight of 88.08 g/mol. Its IUPAC name is lithium hex-2-yne.

Molecular Properties

• Compound Name: lithium hex-2-yne
• PubChem CID: 71319787
• Molecular Formula: C6H9Li
• Molecular Weight: 88.08 g/mol
• Exact Mass: 88.09
• IUPAC Name: lithium hex-2-yne
• SMILES: [CH2-]C#CCCC.[Li+]
• InChI: InChI=1S/C6H9.Li/c1-3-5-6-4-2;/h1,4,6H2,2H3;/q-1;+1
• InChIKey: DZUCFZMRBPQBCR-UHFFFAOYSA-N
• XLogP: -1.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	88.08
LogP ≤ 5	-1.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium hex-2-yne?

The IUPAC name of lithium hex-2-yne (CID 71319787) is lithium hex-2-yne.

What is the SMILES notation for lithium hex-2-yne?

The canonical SMILES for lithium hex-2-yne is [CH2-]C#CCCC.[Li+].

What is the InChIKey of lithium hex-2-yne?

The InChIKey is DZUCFZMRBPQBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.Li/c1-3-5-6-4-2;/h1,4,6H2,2H3;/q-1;+1.

What are the key properties of lithium hex-2-yne?

lithium hex-2-yne has a molecular weight of 88.08 g/mol, XLogP of -1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for lithium hex-2-yne is sourced from PubChem (CID 71319787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).