[(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate

C15H26O5Si — CID 10881574

IUPAC[(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](OC(C)=O)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O5Si/c1-10(16)18-12-8-9-13(19-11(2)17)14(12)20-21(6,7)15(3,4)5/h8-9,12-14H,1-7H3/t12-,13+,14?
InChIKeyCKCYAJJWBAFFFR-PBWFPOADSA-N
MW314.45 g/mol
LogP2.81
Rot. Bonds4

About [(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate

[(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate (PubChem CID 10881574) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is [(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
PubChem CID10881574
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name[(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](OC(C)=O)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O5Si/c1-10(16)18-12-8-9-13(19-11(2)17)14(12)20-21(6,7)15(3,4)5/h8-9,12-14H,1-7H3/t12-,13+,14?
InChIKeyCKCYAJJWBAFFFR-PBWFPOADSA-N
XLogP2.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate (CID 10881574) is [(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](OC(C)=O)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The InChIKey is CKCYAJJWBAFFFR-PBWFPOADSA-N. The full InChI is InChI=1S/C15H26O5Si/c1-10(16)18-12-8-9-13(19-11(2)17)14(12)20-21(6,7)15(3,4)5/h8-9,12-14H,1-7H3/t12-,13+,14?.
What are the key properties of [(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate has a molecular weight of 314.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10881574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).