lithium;hydride;1,3,5-triethylbenzene

C12H19Li — CID 174873379

IUPAClithium;hydride;1,3,5-triethylbenzene
SMILESCCc1cc(CC)cc(CC)c1.[H-].[Li+]
InChIInChI=1S/C12H18.Li.H/c1-4-10-7-11(5-2)9-12(6-3)8-10;;/h7-9H,4-6H2,1-3H3;;/q;+1;-1
InChIKeyJYUXLBWUOXOLPV-UHFFFAOYSA-N
MW170.23 g/mol
LogP0.49
Rot. Bonds3

About lithium;hydride;1,3,5-triethylbenzene

lithium;hydride;1,3,5-triethylbenzene (PubChem CID 174873379) has the molecular formula C12H19Li and a molecular weight of 170.23 g/mol. Its IUPAC name is lithium;hydride;1,3,5-triethylbenzene.

Molecular Properties

Compound Namelithium;hydride;1,3,5-triethylbenzene
PubChem CID174873379
Molecular FormulaC12H19Li
Molecular Weight170.23 g/mol
Exact Mass170.16
IUPAC Namelithium;hydride;1,3,5-triethylbenzene
SMILESCCc1cc(CC)cc(CC)c1.[H-].[Li+]
InChIInChI=1S/C12H18.Li.H/c1-4-10-7-11(5-2)9-12(6-3)8-10;;/h7-9H,4-6H2,1-3H3;;/q;+1;-1
InChIKeyJYUXLBWUOXOLPV-UHFFFAOYSA-N
XLogP0.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze lithium;hydride;1,3,5-triethylbenzene 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;hydride;1,3,5-triethylbenzene?
The IUPAC name of lithium;hydride;1,3,5-triethylbenzene (CID 174873379) is lithium;hydride;1,3,5-triethylbenzene.
What is the SMILES notation for lithium;hydride;1,3,5-triethylbenzene?
The canonical SMILES for lithium;hydride;1,3,5-triethylbenzene is CCc1cc(CC)cc(CC)c1.[H-].[Li+].
What is the InChIKey of lithium;hydride;1,3,5-triethylbenzene?
The InChIKey is JYUXLBWUOXOLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.Li.H/c1-4-10-7-11(5-2)9-12(6-3)8-10;;/h7-9H,4-6H2,1-3H3;;/q;+1;-1.
What are the key properties of lithium;hydride;1,3,5-triethylbenzene?
lithium;hydride;1,3,5-triethylbenzene has a molecular weight of 170.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1,3,5-triethylbenzene is sourced from PubChem (CID 174873379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).