Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide

C10H15Li — CID 15202498

IUPAC—
SMILESCC12[C-]=CC(CC1)C2(C)C.[Li+]
InChIInChI=1S/C10H15.Li/c1-9(2)8-4-6-10(9,3)7-5-8;/h4,8H,5,7H2,1-3H3;/q-1;+1
InChIKeyJBMJKYNAORHYIF-UHFFFAOYSA-N
MW142.17 g/mol
LogP-0.19
Rot. Bonds

About Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide

Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide (PubChem CID 15202498) has the molecular formula C10H15Li and a molecular weight of 142.17 g/mol.

Molecular Properties

Compound NameLithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide
PubChem CID15202498
Molecular FormulaC10H15Li
Molecular Weight142.17 g/mol
Exact Mass142.13
IUPAC Name—
SMILESCC12[C-]=CC(CC1)C2(C)C.[Li+]
InChIInChI=1S/C10H15.Li/c1-9(2)8-4-6-10(9,3)7-5-8;/h4,8H,5,7H2,1-3H3;/q-1;+1
InChIKeyJBMJKYNAORHYIF-UHFFFAOYSA-N
XLogP-0.19
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 ≤ 5-0.19
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 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide?
The IUPAC name of Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide (CID 15202498) is not available.
What is the SMILES notation for Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide?
The canonical SMILES for Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide is CC12[C-]=CC(CC1)C2(C)C.[Li+].
What is the InChIKey of Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide?
The InChIKey is JBMJKYNAORHYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.Li/c1-9(2)8-4-6-10(9,3)7-5-8;/h4,8H,5,7H2,1-3H3;/q-1;+1.
What are the key properties of Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide?
Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide has a molecular weight of 142.17 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ide is sourced from PubChem (CID 15202498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).