(5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane

C12H22Si — CID 22996629

IUPAC(5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane
SMILESCC(C)(C)C1=CCC=C1[Si](C)(C)C
InChIInChI=1S/C12H22Si/c1-12(2,3)10-8-7-9-11(10)13(4,5)6/h8-9H,7H2,1-6H3
InChIKeyJDLUJDWZOYBAFR-UHFFFAOYSA-N
MW194.39 g/mol
LogP4.17
Rot. Bonds1

About (5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane

(5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane (PubChem CID 22996629) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol. Its IUPAC name is (5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane
PubChem CID22996629
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Name(5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane
SMILESCC(C)(C)C1=CCC=C1[Si](C)(C)C
InChIInChI=1S/C12H22Si/c1-12(2,3)10-8-7-9-11(10)13(4,5)6/h8-9H,7H2,1-6H3
InChIKeyJDLUJDWZOYBAFR-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane?
The IUPAC name of (5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane (CID 22996629) is (5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane.
What is the SMILES notation for (5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane?
The canonical SMILES for (5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane is CC(C)(C)C1=CCC=C1[Si](C)(C)C.
What is the InChIKey of (5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane?
The InChIKey is JDLUJDWZOYBAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Si/c1-12(2,3)10-8-7-9-11(10)13(4,5)6/h8-9H,7H2,1-6H3.
What are the key properties of (5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane?
(5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane has a molecular weight of 194.39 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane is sourced from PubChem (CID 22996629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).