lithium hex-1-yne

C6H9Li — CID 22255951

IUPAClithium hex-1-yne
SMILESC#CCCC[CH2-].[Li+]
InChIInChI=1S/C6H9.Li/c1-3-5-6-4-2;/h1H,2,4-6H2;/q-1;+1
InChIKeyIMPLTBBMJVPQAR-UHFFFAOYSA-N
MW88.08 g/mol
LogP-1.37
Rot. Bonds2

About lithium hex-1-yne

lithium hex-1-yne (PubChem CID 22255951) has the molecular formula C6H9Li and a molecular weight of 88.08 g/mol. Its IUPAC name is lithium hex-1-yne.

Molecular Properties

Compound Namelithium hex-1-yne
PubChem CID22255951
Molecular FormulaC6H9Li
Molecular Weight88.08 g/mol
Exact Mass88.09
IUPAC Namelithium hex-1-yne
SMILESC#CCCC[CH2-].[Li+]
InChIInChI=1S/C6H9.Li/c1-3-5-6-4-2;/h1H,2,4-6H2;/q-1;+1
InChIKeyIMPLTBBMJVPQAR-UHFFFAOYSA-N
XLogP-1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hex-1-yne?
The IUPAC name of lithium hex-1-yne (CID 22255951) is lithium hex-1-yne.
What is the SMILES notation for lithium hex-1-yne?
The canonical SMILES for lithium hex-1-yne is C#CCCC[CH2-].[Li+].
What is the InChIKey of lithium hex-1-yne?
The InChIKey is IMPLTBBMJVPQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.Li/c1-3-5-6-4-2;/h1H,2,4-6H2;/q-1;+1.
What are the key properties of lithium hex-1-yne?
lithium hex-1-yne has a molecular weight of 88.08 g/mol, XLogP of -1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hex-1-yne is sourced from PubChem (CID 22255951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).