lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene

C9H13Li — CID 10898734

IUPAClithium 1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCc1[cH-]c(C)c(C)c1C.[Li+]
InChIInChI=1S/C9H13.Li/c1-6-5-7(2)9(4)8(6)3;/h5H,1-4H3;/q-1;+1
InChIKeyNUPLRAQJROXLAH-UHFFFAOYSA-N
MW128.14 g/mol
LogP-0.36
Rot. Bonds

About lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene

lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 10898734) has the molecular formula C9H13Li and a molecular weight of 128.14 g/mol. Its IUPAC name is lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namelithium 1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID10898734
Molecular FormulaC9H13Li
Molecular Weight128.14 g/mol
Exact Mass128.12
IUPAC Namelithium 1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCc1[cH-]c(C)c(C)c1C.[Li+]
InChIInChI=1S/C9H13.Li/c1-6-5-7(2)9(4)8(6)3;/h5H,1-4H3;/q-1;+1
InChIKeyNUPLRAQJROXLAH-UHFFFAOYSA-N
XLogP-0.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.14
LogP ≤ 5-0.36
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 1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 10898734) is lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene is Cc1[cH-]c(C)c(C)c1C.[Li+].
What is the InChIKey of lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is NUPLRAQJROXLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.Li/c1-6-5-7(2)9(4)8(6)3;/h5H,1-4H3;/q-1;+1.
What are the key properties of lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene?
lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 128.14 g/mol, XLogP of -0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 10898734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).