lithium (3-methylcyclopentyl)benzene

C12H15Li — CID 134993631

IUPAClithium (3-methylcyclopentyl)benzene
SMILESCC1[CH-]CC(c2ccccc2)C1.[Li+]
InChIInChI=1S/C12H15.Li/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;/h2-7,10,12H,8-9H2,1H3;/q-1;+1
InChIKeyLAGKRIXQIVLAOR-UHFFFAOYSA-N
MW166.19 g/mol
LogP0.41
Rot. Bonds1

About lithium (3-methylcyclopentyl)benzene

lithium (3-methylcyclopentyl)benzene (PubChem CID 134993631) has the molecular formula C12H15Li and a molecular weight of 166.19 g/mol. Its IUPAC name is lithium (3-methylcyclopentyl)benzene.

Molecular Properties

Compound Namelithium (3-methylcyclopentyl)benzene
PubChem CID134993631
Molecular FormulaC12H15Li
Molecular Weight166.19 g/mol
Exact Mass166.13
IUPAC Namelithium (3-methylcyclopentyl)benzene
SMILESCC1[CH-]CC(c2ccccc2)C1.[Li+]
InChIInChI=1S/C12H15.Li/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;/h2-7,10,12H,8-9H2,1H3;/q-1;+1
InChIKeyLAGKRIXQIVLAOR-UHFFFAOYSA-N
XLogP0.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 50.41
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 (3-methylcyclopentyl)benzene?
The IUPAC name of lithium (3-methylcyclopentyl)benzene (CID 134993631) is lithium (3-methylcyclopentyl)benzene.
What is the SMILES notation for lithium (3-methylcyclopentyl)benzene?
The canonical SMILES for lithium (3-methylcyclopentyl)benzene is CC1[CH-]CC(c2ccccc2)C1.[Li+].
What is the InChIKey of lithium (3-methylcyclopentyl)benzene?
The InChIKey is LAGKRIXQIVLAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15.Li/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;/h2-7,10,12H,8-9H2,1H3;/q-1;+1.
What are the key properties of lithium (3-methylcyclopentyl)benzene?
lithium (3-methylcyclopentyl)benzene has a molecular weight of 166.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3-methylcyclopentyl)benzene is sourced from PubChem (CID 134993631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).