lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane

C11H19LiSi — CID 18347364

IUPAClithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C1=[C-]CC=C1.[Li+]
InChIInChI=1S/C11H19Si.Li/c1-11(2,3)12(4,5)10-8-6-7-9-10;/h6,8H,7H2,1-5H3;/q-1;+1
InChIKeyYCSGMMWTZZNCGC-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.73
Rot. Bonds1

About lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane

lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane (PubChem CID 18347364) has the molecular formula C11H19LiSi and a molecular weight of 186.30 g/mol. Its IUPAC name is lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane
PubChem CID18347364
Molecular FormulaC11H19LiSi
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Namelithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C1=[C-]CC=C1.[Li+]
InChIInChI=1S/C11H19Si.Li/c1-11(2,3)12(4,5)10-8-6-7-9-10;/h6,8H,7H2,1-5H3;/q-1;+1
InChIKeyYCSGMMWTZZNCGC-UHFFFAOYSA-N
XLogP0.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.73
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 tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane?
The IUPAC name of lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane (CID 18347364) is lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane?
The canonical SMILES for lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane is CC(C)(C)[Si](C)(C)C1=[C-]CC=C1.[Li+].
What is the InChIKey of lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane?
The InChIKey is YCSGMMWTZZNCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Si.Li/c1-11(2,3)12(4,5)10-8-6-7-9-10;/h6,8H,7H2,1-5H3;/q-1;+1.
What are the key properties of lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane?
lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane has a molecular weight of 186.30 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane is sourced from PubChem (CID 18347364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).