lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide

C14H17Li — CID 23705991

IUPAClithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide
SMILESCc1cc(C)c2c(C)c(C)[cH-]c2c1C.[Li+]
InChIInChI=1S/C14H17.Li/c1-8-6-10(3)14-12(5)9(2)7-13(14)11(8)4;/h6-7H,1-5H3;/q-1;+1
InChIKeyVUDRWKABDCZSNF-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.10
Rot. Bonds

About lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide

lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide (PubChem CID 23705991) has the molecular formula C14H17Li and a molecular weight of 192.23 g/mol. Its IUPAC name is lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide.

Molecular Properties

Compound Namelithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide
PubChem CID23705991
Molecular FormulaC14H17Li
Molecular Weight192.23 g/mol
Exact Mass192.15
IUPAC Namelithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide
SMILESCc1cc(C)c2c(C)c(C)[cH-]c2c1C.[Li+]
InChIInChI=1S/C14H17.Li/c1-8-6-10(3)14-12(5)9(2)7-13(14)11(8)4;/h6-7H,1-5H3;/q-1;+1
InChIKeyVUDRWKABDCZSNF-UHFFFAOYSA-N
XLogP1.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide?
The IUPAC name of lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide (CID 23705991) is lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide.
What is the SMILES notation for lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide?
The canonical SMILES for lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide is Cc1cc(C)c2c(C)c(C)[cH-]c2c1C.[Li+].
What is the InChIKey of lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide?
The InChIKey is VUDRWKABDCZSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17.Li/c1-8-6-10(3)14-12(5)9(2)7-13(14)11(8)4;/h6-7H,1-5H3;/q-1;+1.
What are the key properties of lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide?
lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide has a molecular weight of 192.23 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,3,4,6,7-pentamethyl-1H-inden-1-ide is sourced from PubChem (CID 23705991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).