2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate

C28H34O6Si — CID 11340896

IUPAC2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate
SMILESCC(=O)OCCC1=C(COC(C)=O)C(=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H34O6Si/c1-20(29)32-17-16-24-25(19-33-21(2)30)26(31)18-27(24)34-35(28(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,27H,16-19H2,1-5H3/t27-/m0/s1
InChIKeyKRIMTIRUYPYEIF-MHZLTWQESA-N
MW494.66 g/mol
LogP3.72
Rot. Bonds9

About 2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate

2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate (PubChem CID 11340896) has the molecular formula C28H34O6Si and a molecular weight of 494.66 g/mol. Its IUPAC name is 2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate
PubChem CID11340896
Molecular FormulaC28H34O6Si
Molecular Weight494.66 g/mol
Exact Mass494.21
IUPAC Name2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate
SMILESCC(=O)OCCC1=C(COC(C)=O)C(=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H34O6Si/c1-20(29)32-17-16-24-25(19-33-21(2)30)26(31)18-27(24)34-35(28(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,27H,16-19H2,1-5H3/t27-/m0/s1
InChIKeyKRIMTIRUYPYEIF-MHZLTWQESA-N
XLogP3.72
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate
CID 16663523
[(1R,2S,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-formylcyclobutyl]methyl acetate
CID 23255964
2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate
CID 10939389
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-amino-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 50937055
ethyl (2E)-2-[(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-4-methylidenecyclohexylidene]acetate
CID 89187762
ethyl 2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydroazulene-6-carboxylate
CID 11705236
[(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate
CID 58918269
[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-(4-fluorophenyl)sulfanylthiolan-2-yl]methyl acetate
CID 153333214
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate?
The IUPAC name of 2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate (CID 11340896) is 2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate.
What is the SMILES notation for 2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate?
The canonical SMILES for 2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate is CC(=O)OCCC1=C(COC(C)=O)C(=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate?
The InChIKey is KRIMTIRUYPYEIF-MHZLTWQESA-N. The full InChI is InChI=1S/C28H34O6Si/c1-20(29)32-17-16-24-25(19-33-21(2)30)26(31)18-27(24)34-35(28(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,27H,16-19H2,1-5H3/t27-/m0/s1.
What are the key properties of 2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate?
2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate has a molecular weight of 494.66 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(acetyloxymethyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-oxocyclopenten-1-yl]ethyl acetate is sourced from PubChem (CID 11340896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).