tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C13H23ClSi — CID 59884248

IUPACtert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([SiH](Cl)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C13H23ClSi/c1-8-9(2)11(4)12(10(8)3)15(14)13(5,6)7/h12,15H,1-7H3
InChIKeyINIIJXRMRGVTHZ-UHFFFAOYSA-N
MW242.87 g/mol
LogP4.81
Rot. Bonds1

About tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 59884248) has the molecular formula C13H23ClSi and a molecular weight of 242.87 g/mol. Its IUPAC name is tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID59884248
Molecular FormulaC13H23ClSi
Molecular Weight242.87 g/mol
Exact Mass242.13
IUPAC Nametert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([SiH](Cl)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C13H23ClSi/c1-8-9(2)11(4)12(10(8)3)15(14)13(5,6)7/h12,15H,1-7H3
InChIKeyINIIJXRMRGVTHZ-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.87
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 59884248) is tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([SiH](Cl)C(C)(C)C)C(C)=C1C.
What is the InChIKey of tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is INIIJXRMRGVTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClSi/c1-8-9(2)11(4)12(10(8)3)15(14)13(5,6)7/h12,15H,1-7H3.
What are the key properties of tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 242.87 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 59884248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).