ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate

C15H30O3Si — CID 10708379

IUPACethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H30O3Si/c1-7-17-14(16)11-12-8-9-13(10-12)18-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13+/m1/s1
InChIKeyZMEBFCYOUOOXLV-OLZOCXBDSA-N
MW286.49 g/mol
LogP4.13
Rot. Bonds5

About ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate

ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate (PubChem CID 10708379) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate
PubChem CID10708379
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nameethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H30O3Si/c1-7-17-14(16)11-12-8-9-13(10-12)18-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13+/m1/s1
InChIKeyZMEBFCYOUOOXLV-OLZOCXBDSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.13
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

(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one
CID 10849827
Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
(1S,3S,4S)-ethyl 3-(tert-butyldimethylsilyloxy)-4-fluorocyclopentanecarboxylate
CID 86626207
(1R,3S,4S)-ethyl 4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexanecarboxylate
CID 123410153
Methyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylate
CID 22167752
Methyl cis-4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 89469074
methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 140518568
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110
ethyl (4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoate
CID 134845346
(4S,6S)-6-(4-((tert-butyldimethylsilyl)oxy)butyl)-4-methyltetrahydro-2H-pyran-2-one
CID 145865227
(4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 146021279
ethyl (1R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate
CID 155888592

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate (CID 10708379) is ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate is CCOC(=O)C[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate?
The InChIKey is ZMEBFCYOUOOXLV-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-17-14(16)11-12-8-9-13(10-12)18-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13+/m1/s1.
What are the key properties of ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate?
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate has a molecular weight of 286.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate is sourced from PubChem (CID 10708379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).