ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate

C16H32O3Si — CID 58557197

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CC1CC
InChIInChI=1S/C16H32O3Si/c1-8-12-10-13(11-14(12)15(17)18-9-2)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3
InChIKeyGQOIGZRDLDILSX-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.38
Rot. Bonds5

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate (PubChem CID 58557197) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate
PubChem CID58557197
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CC1CC
InChIInChI=1S/C16H32O3Si/c1-8-12-10-13(11-14(12)15(17)18-9-2)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3
InChIKeyGQOIGZRDLDILSX-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate
CID 166968041
(3AR,4S,5R,6AS)-5-((Tert-butyldimethylsilyl)oxy)-4-(((tert-butyldimethylsilyl)oxy)methyl)hexahydro-2H-cyclopenta[B]furan-2-one
CID 11795287
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11140705
(3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11241929
89MU5Etu47
CID 14216160
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110
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
(4S,6S)-6-(4-((tert-butyldimethylsilyl)oxy)butyl)-4-methyltetrahydro-2H-pyran-2-one
CID 145865227
Cyclopentaneheptanoic acid, 3,5-dihydroxy-2-[(trimethylsiloxy)methyl]-, methyl ester, diacetate
CID 628211
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate
CID 10708379

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate (CID 58557197) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate is CCOC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CC1CC.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate?
The InChIKey is GQOIGZRDLDILSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-12-10-13(11-14(12)15(17)18-9-2)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate has a molecular weight of 300.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate is sourced from PubChem (CID 58557197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).