ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate

C17H32O4Si — CID 101036975

IUPACethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate
SMILESCCOC(=O)CCC[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-7-20-16(19)10-8-9-13-11-14(18)12-15(13)21-22(5,6)17(2,3)4/h13,15H,7-12H2,1-6H3/t13-,15-/m1/s1
InChIKeyFBBGYQBLGXTJKA-UKRRQHHQSA-N
MW328.53 g/mol
LogP4.09
Rot. Bonds7

About ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate

ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate (PubChem CID 101036975) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate
PubChem CID101036975
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Nameethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate
SMILESCCOC(=O)CCC[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-7-20-16(19)10-8-9-13-11-14(18)12-15(13)21-22(5,6)17(2,3)4/h13,15H,7-12H2,1-6H3/t13-,15-/m1/s1
InChIKeyFBBGYQBLGXTJKA-UKRRQHHQSA-N
XLogP4.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]sulfanylheptanoate
CID 22827429
ethyl 4-[(2R)-oxiran-2-yl]butanoate
CID 10607030
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one;3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one;tetramethylsilane
CID 91070116
cis-(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 91867075
N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide
CID 101216486
ethyl 3-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohepta-2,4-dien-1-yl]propanoate
CID 11005096
ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate
CID 163278309
ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
CID 24764392
butyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 11133051
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099
methyl (1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclohexane-1-carboxylate
CID 102066665
methyl (1R,2S,5S)-2-(5-butan-2-yloxypentyl)-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 101092613

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate?
The IUPAC name of ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate (CID 101036975) is ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate.
What is the SMILES notation for ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate?
The canonical SMILES for ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate is CCOC(=O)CCC[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate?
The InChIKey is FBBGYQBLGXTJKA-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-7-20-16(19)10-8-9-13-11-14(18)12-15(13)21-22(5,6)17(2,3)4/h13,15H,7-12H2,1-6H3/t13-,15-/m1/s1.
What are the key properties of ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate?
ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate has a molecular weight of 328.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate is sourced from PubChem (CID 101036975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).