lithium (4-tert-butylcyclohexyl)-trimethylsilane

C13H27LiSi — CID 13280423

IUPAClithium (4-tert-butylcyclohexyl)-trimethylsilane
SMILESCC(C)(C)C1CC[C-]([Si](C)(C)C)CC1.[Li+]
InChIInChI=1S/C13H27Si.Li/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;/h11H,7-10H2,1-6H3;/q-1;+1
InChIKeyABXSQYPCHWCEJL-UHFFFAOYSA-N
MW218.39 g/mol
LogP1.68
Rot. Bonds1

About lithium (4-tert-butylcyclohexyl)-trimethylsilane

lithium (4-tert-butylcyclohexyl)-trimethylsilane (PubChem CID 13280423) has the molecular formula C13H27LiSi and a molecular weight of 218.39 g/mol. Its IUPAC name is lithium (4-tert-butylcyclohexyl)-trimethylsilane.

Molecular Properties

Compound Namelithium (4-tert-butylcyclohexyl)-trimethylsilane
PubChem CID13280423
Molecular FormulaC13H27LiSi
Molecular Weight218.39 g/mol
Exact Mass218.20
IUPAC Namelithium (4-tert-butylcyclohexyl)-trimethylsilane
SMILESCC(C)(C)C1CC[C-]([Si](C)(C)C)CC1.[Li+]
InChIInChI=1S/C13H27Si.Li/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;/h11H,7-10H2,1-6H3;/q-1;+1
InChIKeyABXSQYPCHWCEJL-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium (4-tert-butylcyclohexyl)-trimethylsilane?
The IUPAC name of lithium (4-tert-butylcyclohexyl)-trimethylsilane (CID 13280423) is lithium (4-tert-butylcyclohexyl)-trimethylsilane.
What is the SMILES notation for lithium (4-tert-butylcyclohexyl)-trimethylsilane?
The canonical SMILES for lithium (4-tert-butylcyclohexyl)-trimethylsilane is CC(C)(C)C1CC[C-]([Si](C)(C)C)CC1.[Li+].
What is the InChIKey of lithium (4-tert-butylcyclohexyl)-trimethylsilane?
The InChIKey is ABXSQYPCHWCEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Si.Li/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;/h11H,7-10H2,1-6H3;/q-1;+1.
What are the key properties of lithium (4-tert-butylcyclohexyl)-trimethylsilane?
lithium (4-tert-butylcyclohexyl)-trimethylsilane has a molecular weight of 218.39 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4-tert-butylcyclohexyl)-trimethylsilane is sourced from PubChem (CID 13280423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).