lithium;butane;methylcyclohexane

C11H23Li — CID 159261631

IUPAClithium;butane;methylcyclohexane
SMILESCC1CCCCC1.[CH2-]CCC.[Li+]
InChIInChI=1S/C7H14.C4H9.Li/c1-7-5-3-2-4-6-7;1-3-4-2;/h7H,2-6H2,1H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyCOZFCYDCSQOAKO-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.21
Rot. Bonds1

About lithium;butane;methylcyclohexane

lithium;butane;methylcyclohexane (PubChem CID 159261631) has the molecular formula C11H23Li and a molecular weight of 162.25 g/mol. Its IUPAC name is lithium;butane;methylcyclohexane.

Molecular Properties

Compound Namelithium;butane;methylcyclohexane
PubChem CID159261631
Molecular FormulaC11H23Li
Molecular Weight162.25 g/mol
Exact Mass162.20
IUPAC Namelithium;butane;methylcyclohexane
SMILESCC1CCCCC1.[CH2-]CCC.[Li+]
InChIInChI=1S/C7H14.C4H9.Li/c1-7-5-3-2-4-6-7;1-3-4-2;/h7H,2-6H2,1H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyCOZFCYDCSQOAKO-UHFFFAOYSA-N
XLogP1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.21
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;butane;methylcyclohexane?
The IUPAC name of lithium;butane;methylcyclohexane (CID 159261631) is lithium;butane;methylcyclohexane.
What is the SMILES notation for lithium;butane;methylcyclohexane?
The canonical SMILES for lithium;butane;methylcyclohexane is CC1CCCCC1.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;methylcyclohexane?
The InChIKey is COZFCYDCSQOAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C4H9.Li/c1-7-5-3-2-4-6-7;1-3-4-2;/h7H,2-6H2,1H3;1,3-4H2,2H3;/q;-1;+1.
What are the key properties of lithium;butane;methylcyclohexane?
lithium;butane;methylcyclohexane has a molecular weight of 162.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;methylcyclohexane is sourced from PubChem (CID 159261631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).