lithium 1-ethynylcyclohexene

C8H9Li — CID 10855411

IUPAClithium 1-ethynylcyclohexene
SMILES[C-]#CC1=CCCCC1.[Li+]
InChIInChI=1S/C8H9.Li/c1-2-8-6-4-3-5-7-8;/h6H,3-5,7H2;/q-1;+1
InChIKeyXIUWHDVLVMMULH-UHFFFAOYSA-N
MW112.10 g/mol
LogP-0.92
Rot. Bonds

About lithium 1-ethynylcyclohexene

lithium 1-ethynylcyclohexene (PubChem CID 10855411) has the molecular formula C8H9Li and a molecular weight of 112.10 g/mol. Its IUPAC name is lithium 1-ethynylcyclohexene.

Molecular Properties

Compound Namelithium 1-ethynylcyclohexene
PubChem CID10855411
Molecular FormulaC8H9Li
Molecular Weight112.10 g/mol
Exact Mass112.09
IUPAC Namelithium 1-ethynylcyclohexene
SMILES[C-]#CC1=CCCCC1.[Li+]
InChIInChI=1S/C8H9.Li/c1-2-8-6-4-3-5-7-8;/h6H,3-5,7H2;/q-1;+1
InChIKeyXIUWHDVLVMMULH-UHFFFAOYSA-N
XLogP-0.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.10
LogP ≤ 5-0.92
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 1-ethynylcyclohexene?
The IUPAC name of lithium 1-ethynylcyclohexene (CID 10855411) is lithium 1-ethynylcyclohexene.
What is the SMILES notation for lithium 1-ethynylcyclohexene?
The canonical SMILES for lithium 1-ethynylcyclohexene is [C-]#CC1=CCCCC1.[Li+].
What is the InChIKey of lithium 1-ethynylcyclohexene?
The InChIKey is XIUWHDVLVMMULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.Li/c1-2-8-6-4-3-5-7-8;/h6H,3-5,7H2;/q-1;+1.
What are the key properties of lithium 1-ethynylcyclohexene?
lithium 1-ethynylcyclohexene has a molecular weight of 112.10 g/mol, XLogP of -0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-ethynylcyclohexene is sourced from PubChem (CID 10855411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).