ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate

C15H29FO3Si — CID 155888592

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)C(F)C1
InChIInChI=1S/C15H29FO3Si/c1-7-18-14(17)11-8-9-13(12(16)10-11)19-20(5,6)15(2,3)4/h11-13H,7-10H2,1-6H3
InChIKeyYIBXYIGBWGHFJD-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.08
Rot. Bonds4

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate (PubChem CID 155888592) has the molecular formula C15H29FO3Si and a molecular weight of 304.48 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate
PubChem CID155888592
Molecular FormulaC15H29FO3Si
Molecular Weight304.48 g/mol
Exact Mass304.19
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)C(F)C1
InChIInChI=1S/C15H29FO3Si/c1-7-18-14(17)11-8-9-13(12(16)10-11)19-20(5,6)15(2,3)4/h11-13H,7-10H2,1-6H3
InChIKeyYIBXYIGBWGHFJD-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.08
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

4OcHCaAFcH
CID 21351041
Methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate
CID 91636192
Methyl (1s,4s)-4-(pentyloxy)cyclohexane-1-carboxylate
CID 114450461
(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one
CID 10849827
Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
2-Trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
CID 59001147
Ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate
CID 59327315
cis-4-(3-Fluoro-propoxy)-cyclohexanecarboxylic acid tert-butyl ester
CID 66816780
Ethyl 4-(4,4,4-trifluorobutan-2-yloxy)cyclohexane-1-carboxylate
CID 67369444
Propyl 4-(2,2,2-trifluoroacetyl)oxycyclohexane-1-carboxylate
CID 68248530
Methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate
CID 114450780
Ethyl 4-(3,3,3-trifluoro-2-methylpropanoyl)oxycyclohexane-1-carboxylate
CID 118531078

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate (CID 155888592) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate is CCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)C(F)C1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate?
The InChIKey is YIBXYIGBWGHFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO3Si/c1-7-18-14(17)11-8-9-13(12(16)10-11)19-20(5,6)15(2,3)4/h11-13H,7-10H2,1-6H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate has a molecular weight of 304.48 g/mol, XLogP of 4.08, 4 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-3-fluorocyclohexane-1-carboxylate is sourced from PubChem (CID 155888592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).