lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene

C11H17Li — CID 172788476

IUPAClithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene
SMILESCCCc1c(C)[cH-]c(C)c1C.[Li+]
InChIInChI=1S/C11H17.Li/c1-5-6-11-9(3)7-8(2)10(11)4;/h7H,5-6H2,1-4H3;/q-1;+1
InChIKeyOJKPVJCXLFEOTJ-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.29
Rot. Bonds2

About lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene

lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene (PubChem CID 172788476) has the molecular formula C11H17Li and a molecular weight of 156.20 g/mol. Its IUPAC name is lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene.

Molecular Properties

Compound Namelithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene
PubChem CID172788476
Molecular FormulaC11H17Li
Molecular Weight156.20 g/mol
Exact Mass156.15
IUPAC Namelithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene
SMILESCCCc1c(C)[cH-]c(C)c1C.[Li+]
InChIInChI=1S/C11H17.Li/c1-5-6-11-9(3)7-8(2)10(11)4;/h7H,5-6H2,1-4H3;/q-1;+1
InChIKeyOJKPVJCXLFEOTJ-UHFFFAOYSA-N
XLogP0.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.29
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 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene?
The IUPAC name of lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene (CID 172788476) is lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene.
What is the SMILES notation for lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene?
The canonical SMILES for lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene is CCCc1c(C)[cH-]c(C)c1C.[Li+].
What is the InChIKey of lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene?
The InChIKey is OJKPVJCXLFEOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17.Li/c1-5-6-11-9(3)7-8(2)10(11)4;/h7H,5-6H2,1-4H3;/q-1;+1.
What are the key properties of lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene?
lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene has a molecular weight of 156.20 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene is sourced from PubChem (CID 172788476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).