lithium 2,3-dimethyl-1H-naphthalen-1-ide

C12H11Li — CID 175420252

IUPAClithium 2,3-dimethyl-1H-naphthalen-1-ide
SMILESCc1[c-]c2ccccc2cc1C.[Li+]
InChIInChI=1S/C12H11.Li/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;/h3-7H,1-2H3;/q-1;+1
InChIKeyJXRYKMCAZSKYAM-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.26
Rot. Bonds

About lithium 2,3-dimethyl-1H-naphthalen-1-ide

lithium 2,3-dimethyl-1H-naphthalen-1-ide (PubChem CID 175420252) has the molecular formula C12H11Li and a molecular weight of 162.16 g/mol. Its IUPAC name is lithium 2,3-dimethyl-1H-naphthalen-1-ide.

Molecular Properties

Compound Namelithium 2,3-dimethyl-1H-naphthalen-1-ide
PubChem CID175420252
Molecular FormulaC12H11Li
Molecular Weight162.16 g/mol
Exact Mass162.10
IUPAC Namelithium 2,3-dimethyl-1H-naphthalen-1-ide
SMILESCc1[c-]c2ccccc2cc1C.[Li+]
InChIInChI=1S/C12H11.Li/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;/h3-7H,1-2H3;/q-1;+1
InChIKeyJXRYKMCAZSKYAM-UHFFFAOYSA-N
XLogP0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.26
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 2,3-dimethyl-1H-naphthalen-1-ide?
The IUPAC name of lithium 2,3-dimethyl-1H-naphthalen-1-ide (CID 175420252) is lithium 2,3-dimethyl-1H-naphthalen-1-ide.
What is the SMILES notation for lithium 2,3-dimethyl-1H-naphthalen-1-ide?
The canonical SMILES for lithium 2,3-dimethyl-1H-naphthalen-1-ide is Cc1[c-]c2ccccc2cc1C.[Li+].
What is the InChIKey of lithium 2,3-dimethyl-1H-naphthalen-1-ide?
The InChIKey is JXRYKMCAZSKYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11.Li/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;/h3-7H,1-2H3;/q-1;+1.
What are the key properties of lithium 2,3-dimethyl-1H-naphthalen-1-ide?
lithium 2,3-dimethyl-1H-naphthalen-1-ide has a molecular weight of 162.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,3-dimethyl-1H-naphthalen-1-ide is sourced from PubChem (CID 175420252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).