lithium 1,2,3-trimethylcyclopenta-1,3-diene

C8H11Li — CID 18347737

IUPAClithium 1,2,3-trimethylcyclopenta-1,3-diene
SMILESCC1=[C-]CC(C)=C1C.[Li+]
InChIInChI=1S/C8H11.Li/c1-6-4-5-7(2)8(6)3;/h4H2,1-3H3;/q-1;+1
InChIKeyWHOLSYBRACDISE-UHFFFAOYSA-N
MW114.12 g/mol
LogP-0.52
Rot. Bonds

About lithium 1,2,3-trimethylcyclopenta-1,3-diene

lithium 1,2,3-trimethylcyclopenta-1,3-diene (PubChem CID 18347737) has the molecular formula C8H11Li and a molecular weight of 114.12 g/mol. Its IUPAC name is lithium 1,2,3-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namelithium 1,2,3-trimethylcyclopenta-1,3-diene
PubChem CID18347737
Molecular FormulaC8H11Li
Molecular Weight114.12 g/mol
Exact Mass114.10
IUPAC Namelithium 1,2,3-trimethylcyclopenta-1,3-diene
SMILESCC1=[C-]CC(C)=C1C.[Li+]
InChIInChI=1S/C8H11.Li/c1-6-4-5-7(2)8(6)3;/h4H2,1-3H3;/q-1;+1
InChIKeyWHOLSYBRACDISE-UHFFFAOYSA-N
XLogP-0.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 5-0.52
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 1,2,3-trimethylcyclopenta-1,3-diene?
The IUPAC name of lithium 1,2,3-trimethylcyclopenta-1,3-diene (CID 18347737) is lithium 1,2,3-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for lithium 1,2,3-trimethylcyclopenta-1,3-diene?
The canonical SMILES for lithium 1,2,3-trimethylcyclopenta-1,3-diene is CC1=[C-]CC(C)=C1C.[Li+].
What is the InChIKey of lithium 1,2,3-trimethylcyclopenta-1,3-diene?
The InChIKey is WHOLSYBRACDISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.Li/c1-6-4-5-7(2)8(6)3;/h4H2,1-3H3;/q-1;+1.
What are the key properties of lithium 1,2,3-trimethylcyclopenta-1,3-diene?
lithium 1,2,3-trimethylcyclopenta-1,3-diene has a molecular weight of 114.12 g/mol, XLogP of -0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,3-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 18347737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).