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

C17H34O3Si — CID 58597177

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34O3Si/c1-8-17(15(18)19-9-2)12-10-14(11-13-17)20-21(6,7)16(3,4)5/h14H,8-13H2,1-7H3
InChIKeyXPEUDWPBLMZIRA-UHFFFAOYSA-N
MW314.54 g/mol
LogP4.91
Rot. Bonds5

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

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate (PubChem CID 58597177) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate
PubChem CID58597177
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34O3Si/c1-8-17(15(18)19-9-2)12-10-14(11-13-17)20-21(6,7)16(3,4)5/h14H,8-13H2,1-7H3
InChIKeyXPEUDWPBLMZIRA-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.91
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 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
(1R,3S,4S)-ethyl 4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexanecarboxylate
CID 123410153
Ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate
CID 175510042
Methyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylate
CID 22167752
Methyl cis-4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 89469074
tert-Butyldimethylsilyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylate
CID 91742243
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110
Methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
CID 85341340
methyl (3R)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383532
methyl (3S)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383533
(4S,6S)-6-(4-((tert-butyldimethylsilyl)oxy)butyl)-4-methyltetrahydro-2H-pyran-2-one
CID 145865227
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
CID 166449043

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate (CID 58597177) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate is CCOC(=O)C1(CC)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate?
The InChIKey is XPEUDWPBLMZIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-8-17(15(18)19-9-2)12-10-14(11-13-17)20-21(6,7)16(3,4)5/h14H,8-13H2,1-7H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate has a molecular weight of 314.54 g/mol, XLogP of 4.91, 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-1-ethylcyclohexane-1-carboxylate is sourced from PubChem (CID 58597177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).