lithium ethynylcyclohexane

C8H11Li — CID 11126214

IUPAClithium ethynylcyclohexane
SMILES[C-]#CC1CCCCC1.[Li+]
InChIInChI=1S/C8H11.Li/c1-2-8-6-4-3-5-7-8;/h8H,3-7H2;/q-1;+1
InChIKeyZYAQEVKDLGPCPY-UHFFFAOYSA-N
MW114.12 g/mol
LogP-0.84
Rot. Bonds

About lithium ethynylcyclohexane

lithium ethynylcyclohexane (PubChem CID 11126214) has the molecular formula C8H11Li and a molecular weight of 114.12 g/mol. Its IUPAC name is lithium ethynylcyclohexane.

Molecular Properties

Compound Namelithium ethynylcyclohexane
PubChem CID11126214
Molecular FormulaC8H11Li
Molecular Weight114.12 g/mol
Exact Mass114.10
IUPAC Namelithium ethynylcyclohexane
SMILES[C-]#CC1CCCCC1.[Li+]
InChIInChI=1S/C8H11.Li/c1-2-8-6-4-3-5-7-8;/h8H,3-7H2;/q-1;+1
InChIKeyZYAQEVKDLGPCPY-UHFFFAOYSA-N
XLogP-0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 5-0.84
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 ethynylcyclohexane?
The IUPAC name of lithium ethynylcyclohexane (CID 11126214) is lithium ethynylcyclohexane.
What is the SMILES notation for lithium ethynylcyclohexane?
The canonical SMILES for lithium ethynylcyclohexane is [C-]#CC1CCCCC1.[Li+].
What is the InChIKey of lithium ethynylcyclohexane?
The InChIKey is ZYAQEVKDLGPCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.Li/c1-2-8-6-4-3-5-7-8;/h8H,3-7H2;/q-1;+1.
What are the key properties of lithium ethynylcyclohexane?
lithium ethynylcyclohexane has a molecular weight of 114.12 g/mol, XLogP of -0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethynylcyclohexane is sourced from PubChem (CID 11126214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).