2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane

C14H26O2Si — CID 178251875

IUPAC2-(1-tert-butylperoxycyclopentyl)ethynyl-trimethylsilane
SMILESCC(C)(C)OOC1(CCCC1)C#C[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-13(2,3)15-16-14(9-7-8-10-14)11-12-17(4,5)6/h7-10H2,1-6H3
InChIKeyLRLWMNXHUSIJDT-UHFFFAOYSA-N
MW254.44 g/mol
LogP—
Rot. Bonds5

About 2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane

2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane (PubChem CID 178251875) has the molecular formula C14H26O2Si and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-(1-tert-butylperoxycyclopentyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane
PubChem CID178251875
Molecular FormulaC14H26O2Si
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name2-(1-tert-butylperoxycyclopentyl)ethynyl-trimethylsilane
SMILESCC(C)(C)OOC1(CCCC1)C#C[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-13(2,3)15-16-14(9-7-8-10-14)11-12-17(4,5)6/h7-10H2,1-6H3
InChIKeyLRLWMNXHUSIJDT-UHFFFAOYSA-N
XLogP—
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity316

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane (CID 178251875) is 2-(1-tert-butylperoxycyclopentyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane is CC(C)(C)OOC1(CCCC1)C#C[Si](C)(C)C.
What is the InChIKey of 2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane?
The InChIKey is LRLWMNXHUSIJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-13(2,3)15-16-14(9-7-8-10-14)11-12-17(4,5)6/h7-10H2,1-6H3.
What are the key properties of 2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane?
2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane has a molecular weight of 254.44 g/mol, XLogP of not available, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-Tert-butylperoxycyclopentyl)ethynyl-trimethylsilane is sourced from PubChem (CID 178251875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).