[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate

C13H24O3Si — CID 10956197

IUPAC[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](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/h7-8,11-12H,9H2,1-6H3/t11-,12+/m0/s1
InChIKeyCXVDLYHQAQWYEV-NWDGAFQWSA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds3

About [(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate

[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate (PubChem CID 10956197) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is [(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
PubChem CID10956197
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](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/h7-8,11-12H,9H2,1-6H3/t11-,12+/m0/s1
InChIKeyCXVDLYHQAQWYEV-NWDGAFQWSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate (CID 10956197) is [(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The InChIKey is CXVDLYHQAQWYEV-NWDGAFQWSA-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/h7-8,11-12H,9H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of [(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate has a molecular weight of 256.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10956197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).