lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene

C10H15Li — CID 23710873

IUPAClithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Li+]
InChIInChI=1S/C10H15.Li/c1-7-6-10(4,5)9(3)8(7)2;/h1-5H3;/q-1;+1
InChIKeyWCVKNKSHPUJRHX-UHFFFAOYSA-N
MW142.17 g/mol
LogP0.12
Rot. Bonds

About lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene

lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 23710873) has the molecular formula C10H15Li and a molecular weight of 142.17 g/mol. Its IUPAC name is lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namelithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID23710873
Molecular FormulaC10H15Li
Molecular Weight142.17 g/mol
Exact Mass142.13
IUPAC Namelithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Li+]
InChIInChI=1S/C10H15.Li/c1-7-6-10(4,5)9(3)8(7)2;/h1-5H3;/q-1;+1
InChIKeyWCVKNKSHPUJRHX-UHFFFAOYSA-N
XLogP0.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 50.12
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 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 23710873) is lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene is CC1=[C-]C(C)(C)C(C)=C1C.[Li+].
What is the InChIKey of lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is WCVKNKSHPUJRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.Li/c1-7-6-10(4,5)9(3)8(7)2;/h1-5H3;/q-1;+1.
What are the key properties of lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 23710873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).