[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate

C15H28O3Si — CID 10826951

IUPAC[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-12(16)18-14-9-7-8-13(14)10-11-17-19(5,6)15(2,3)4/h7-8,13-14H,9-11H2,1-6H3/t13-,14-/m1/s1
InChIKeyNYKVAYPETXQJJW-ZIAGYGMSSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds5

About [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate

[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate (PubChem CID 10826951) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
PubChem CID10826951
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-12(16)18-14-9-7-8-13(14)10-11-17-19(5,6)15(2,3)4/h7-8,13-14H,9-11H2,1-6H3/t13-,14-/m1/s1
InChIKeyNYKVAYPETXQJJW-ZIAGYGMSSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
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,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate?
The IUPAC name of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate (CID 10826951) is [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate.
What is the SMILES notation for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate?
The canonical SMILES for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate is CC(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate?
The InChIKey is NYKVAYPETXQJJW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12(16)18-14-9-7-8-13(14)10-11-17-19(5,6)15(2,3)4/h7-8,13-14H,9-11H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate?
[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate has a molecular weight of 284.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate is sourced from PubChem (CID 10826951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).