4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one

C13H24O2Si — CID 57084195

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one
SMILESCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C13H24O2Si/c1-7-10-8-11(9-12(10)14)15-16(5,6)13(2,3)4/h8,11H,7,9H2,1-6H3
InChIKeyQZVQLMAHYJSKJX-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.69
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one (PubChem CID 57084195) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one
PubChem CID57084195
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one
SMILESCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C13H24O2Si/c1-7-10-8-11(9-12(10)14)15-16(5,6)13(2,3)4/h8,11H,7,9H2,1-6H3
InChIKeyQZVQLMAHYJSKJX-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one (CID 57084195) is 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one is CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one?
The InChIKey is QZVQLMAHYJSKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-7-10-8-11(9-12(10)14)15-16(5,6)13(2,3)4/h8,11H,7,9H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopent-2-en-1-one is sourced from PubChem (CID 57084195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).