(3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane

C12H22Si — CID 15912517

IUPAC(3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)C)C=C1
InChIInChI=1S/C12H22Si/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-9,11H,1-6H3
InChIKeyMCIPNRQULUHFGK-UHFFFAOYSA-N
MW194.39 g/mol
LogP4.24
Rot. Bonds1

About (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane

(3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane (PubChem CID 15912517) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol. Its IUPAC name is (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane
PubChem CID15912517
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)C)C=C1
InChIInChI=1S/C12H22Si/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-9,11H,1-6H3
InChIKeyMCIPNRQULUHFGK-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane 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 (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane?
The IUPAC name of (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane (CID 15912517) is (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane.
What is the SMILES notation for (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane?
The canonical SMILES for (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane is CC(C)(C)C1=CC([Si](C)(C)C)C=C1.
What is the InChIKey of (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane?
The InChIKey is MCIPNRQULUHFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Si/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-9,11H,1-6H3.
What are the key properties of (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane?
(3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane has a molecular weight of 194.39 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane is sourced from PubChem (CID 15912517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).