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

C15H29FO3Si — CID 155753323

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate
SMILESCCOC(=O)C1(F)CCCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H29FO3Si/c1-7-18-13(17)15(16)10-8-9-12(11-15)19-20(5,6)14(2,3)4/h12H,7-11H2,1-6H3
InChIKeyFEDKMQNNJZZTCE-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.22
Rot. Bonds4

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

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate (PubChem CID 155753323) has the molecular formula C15H29FO3Si and a molecular weight of 304.48 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate
PubChem CID155753323
Molecular FormulaC15H29FO3Si
Molecular Weight304.48 g/mol
Exact Mass304.19
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate
SMILESCCOC(=O)C1(F)CCCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H29FO3Si/c1-7-18-13(17)15(16)10-8-9-12(11-15)19-20(5,6)14(2,3)4/h12H,7-11H2,1-6H3
InChIKeyFEDKMQNNJZZTCE-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate (CID 155753323) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate is CCOC(=O)C1(F)CCCC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate?
The InChIKey is FEDKMQNNJZZTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO3Si/c1-7-18-13(17)15(16)10-8-9-12(11-15)19-20(5,6)14(2,3)4/h12H,7-11H2,1-6H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate has a molecular weight of 304.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-1-fluorocyclohexane-1-carboxylate is sourced from PubChem (CID 155753323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).