trilithium;benzene;1,3,5-triethylbenzene

C18H21Li3 — CID 175560263

IUPACtrilithium;benzene;1,3,5-triethylbenzene
SMILESCCc1cc(CC)cc(CC)c1.[Li+].[Li+].[Li+].[c-]1c[c-]c[c-]c1
InChIInChI=1S/C12H18.C6H3.3Li/c1-4-10-7-11(5-2)9-12(6-3)8-10;1-2-4-6-5-3-1;;;/h7-9H,4-6H2,1-3H3;1,4-5H;;;/q;-3;3*+1
InChIKeyCRBUEWICQPGURG-UHFFFAOYSA-N
MW258.19 g/mol
LogP-4.53
Rot. Bonds3

About trilithium;benzene;1,3,5-triethylbenzene

trilithium;benzene;1,3,5-triethylbenzene (PubChem CID 175560263) has the molecular formula C18H21Li3 and a molecular weight of 258.19 g/mol. Its IUPAC name is trilithium;benzene;1,3,5-triethylbenzene.

Molecular Properties

Compound Nametrilithium;benzene;1,3,5-triethylbenzene
PubChem CID175560263
Molecular FormulaC18H21Li3
Molecular Weight258.19 g/mol
Exact Mass258.21
IUPAC Nametrilithium;benzene;1,3,5-triethylbenzene
SMILESCCc1cc(CC)cc(CC)c1.[Li+].[Li+].[Li+].[c-]1c[c-]c[c-]c1
InChIInChI=1S/C12H18.C6H3.3Li/c1-4-10-7-11(5-2)9-12(6-3)8-10;1-2-4-6-5-3-1;;;/h7-9H,4-6H2,1-3H3;1,4-5H;;;/q;-3;3*+1
InChIKeyCRBUEWICQPGURG-UHFFFAOYSA-N
XLogP-4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 5-4.53
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 trilithium;benzene;1,3,5-triethylbenzene?
The IUPAC name of trilithium;benzene;1,3,5-triethylbenzene (CID 175560263) is trilithium;benzene;1,3,5-triethylbenzene.
What is the SMILES notation for trilithium;benzene;1,3,5-triethylbenzene?
The canonical SMILES for trilithium;benzene;1,3,5-triethylbenzene is CCc1cc(CC)cc(CC)c1.[Li+].[Li+].[Li+].[c-]1c[c-]c[c-]c1.
What is the InChIKey of trilithium;benzene;1,3,5-triethylbenzene?
The InChIKey is CRBUEWICQPGURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C6H3.3Li/c1-4-10-7-11(5-2)9-12(6-3)8-10;1-2-4-6-5-3-1;;;/h7-9H,4-6H2,1-3H3;1,4-5H;;;/q;-3;3*+1.
What are the key properties of trilithium;benzene;1,3,5-triethylbenzene?
trilithium;benzene;1,3,5-triethylbenzene has a molecular weight of 258.19 g/mol, XLogP of -4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;benzene;1,3,5-triethylbenzene is sourced from PubChem (CID 175560263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).