[3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate

C13H24O3Si — CID 70096591

IUPAC[3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate
SMILESCC(=O)OC1CC=C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H24O3Si/c1-10(14)15-11-7-8-12(9-11)16-17(5,6)13(2,3)4/h8,11H,7,9H2,1-6H3
InChIKeyKRXJOOHBNRMXKL-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.62
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate

[3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate (PubChem CID 70096591) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate
PubChem CID70096591
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate
SMILESCC(=O)OC1CC=C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H24O3Si/c1-10(14)15-11-7-8-12(9-11)16-17(5,6)13(2,3)4/h8,11H,7,9H2,1-6H3
InChIKeyKRXJOOHBNRMXKL-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate (CID 70096591) is [3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate is CC(=O)OC1CC=C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate?
The InChIKey is KRXJOOHBNRMXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-10(14)15-11-7-8-12(9-11)16-17(5,6)13(2,3)4/h8,11H,7,9H2,1-6H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate?
[3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate has a molecular weight of 256.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate is sourced from PubChem (CID 70096591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).