lithium cuban-4-ide

C8H7Li — CID 14594766

IUPAClithium cuban-4-ide
SMILES[C-]12C3C4C1C1C2C3C41.[Li+]
InChIInChI=1S/C8H7.Li/c1-2-5-3(1)7-4(1)6(2)8(5)7;/h1-7H;/q-1;+1
InChIKeyPROPUHCLYWKANL-UHFFFAOYSA-N
MW110.08 g/mol
LogP-2.05
Rot. Bonds

About lithium cuban-4-ide

lithium cuban-4-ide (PubChem CID 14594766) has the molecular formula C8H7Li and a molecular weight of 110.08 g/mol. Its IUPAC name is lithium cuban-4-ide.

Molecular Properties

Compound Namelithium cuban-4-ide
PubChem CID14594766
Molecular FormulaC8H7Li
Molecular Weight110.08 g/mol
Exact Mass110.07
IUPAC Namelithium cuban-4-ide
SMILES[C-]12C3C4C1C1C2C3C41.[Li+]
InChIInChI=1S/C8H7.Li/c1-2-5-3(1)7-4(1)6(2)8(5)7;/h1-7H;/q-1;+1
InChIKeyPROPUHCLYWKANL-UHFFFAOYSA-N
XLogP-2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 5-2.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium cuban-4-ide?
The IUPAC name of lithium cuban-4-ide (CID 14594766) is lithium cuban-4-ide.
What is the SMILES notation for lithium cuban-4-ide?
The canonical SMILES for lithium cuban-4-ide is [C-]12C3C4C1C1C2C3C41.[Li+].
What is the InChIKey of lithium cuban-4-ide?
The InChIKey is PROPUHCLYWKANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7.Li/c1-2-5-3(1)7-4(1)6(2)8(5)7;/h1-7H;/q-1;+1.
What are the key properties of lithium cuban-4-ide?
lithium cuban-4-ide has a molecular weight of 110.08 g/mol, XLogP of -2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cuban-4-ide is sourced from PubChem (CID 14594766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).