(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane

C12H22Si — CID 12547572

IUPAC(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane
SMILESCCC(C)C1=CC=CC1[Si](C)(C)C
InChIInChI=1S/C12H22Si/c1-6-10(2)11-8-7-9-12(11)13(3,4)5/h7-10,12H,6H2,1-5H3
InChIKeyQBNLINNJLOSEFR-UHFFFAOYSA-N
MW194.39 g/mol
LogP4.24
Rot. Bonds3

About (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane

(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane (PubChem CID 12547572) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol. Its IUPAC name is (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane
PubChem CID12547572
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Name(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane
SMILESCCC(C)C1=CC=CC1[Si](C)(C)C
InChIInChI=1S/C12H22Si/c1-6-10(2)11-8-7-9-12(11)13(3,4)5/h7-10,12H,6H2,1-5H3
InChIKeyQBNLINNJLOSEFR-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane?
The IUPAC name of (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane (CID 12547572) is (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane.
What is the SMILES notation for (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane?
The canonical SMILES for (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane is CCC(C)C1=CC=CC1[Si](C)(C)C.
What is the InChIKey of (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane?
The InChIKey is QBNLINNJLOSEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Si/c1-6-10(2)11-8-7-9-12(11)13(3,4)5/h7-10,12H,6H2,1-5H3.
What are the key properties of (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane?
(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane has a molecular weight of 194.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane is sourced from PubChem (CID 12547572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).