methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate

C16H30O4Si — CID 11088340

IUPACmethyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(C)C
InChIInChI=1S/C16H30O4Si/c1-10(2)13-12(20-21(7,8)16(3,4)5)9-11(17)14(13)15(18)19-6/h10,12-14H,9H2,1-8H3/t12-,13+,14+/m0/s1
InChIKeyAMJYARPLOPXTBK-BFHYXJOUSA-N
MW314.50 g/mol
LogP3.41
Rot. Bonds4

About methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate

methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 11088340) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate
PubChem CID11088340
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Namemethyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(C)C
InChIInChI=1S/C16H30O4Si/c1-10(2)13-12(20-21(7,8)16(3,4)5)9-11(17)14(13)15(18)19-6/h10,12-14H,9H2,1-8H3/t12-,13+,14+/m0/s1
InChIKeyAMJYARPLOPXTBK-BFHYXJOUSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl 7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-(3-oxooctyl)cyclopentyl]-5-fluoro-6-oxoheptanoate
CID 15224617
propan-2-yl 7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopentyl]heptanoate
CID 56961902
methyl (5S)-7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-(3-oxooctyl)cyclopentyl]-5-fluoro-6-oxoheptanoate
CID 88445821
butyl 7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopentyl]heptanoate
CID 173576484
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11140705
Methyl (2rs,5s)-5-[t-butyl(dimethyl)silyloxy]-2-hexyl-3-oxodecanoate
CID 129750920
Methyl (2rs,5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-2-hexyl-3-oxohexadecanoate
CID 129758585
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-oxocyclopentane-1-carboxylate
CID 134905985
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-oxocyclopentane-1-carboxylate
CID 134906162
methyl (3aR,6R,6aR)-6-methyl-3-oxo-6-triethylsilyloxy-1,2,3a,4,5,6a-hexahydropentalene-2-carboxylate
CID 166444492
Methyl 3-(2-(3-oxooctyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)propanoate
CID 620294
Methyl 8-(2-(3-methoxy-3-oxopropyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)-6-oxooctanoate
CID 620295

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate (CID 11088340) is methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate is COC(=O)[C@@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(C)C.
What is the InChIKey of methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is AMJYARPLOPXTBK-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-10(2)13-12(20-21(7,8)16(3,4)5)9-11(17)14(13)15(18)19-6/h10,12-14H,9H2,1-8H3/t12-,13+,14+/m0/s1.
What are the key properties of methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate?
methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 314.50 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 11088340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).