ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate

C14H29FO3Si — CID 13320647

IUPACethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate
SMILESCCOC(=O)C(F)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29FO3Si/c1-7-17-13(16)12(15)10-8-9-11-18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3
InChIKeyGXWWMQHCCXDYMU-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.08
Rot. Bonds8

About ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate

ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate (PubChem CID 13320647) has the molecular formula C14H29FO3Si and a molecular weight of 292.47 g/mol. Its IUPAC name is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate
PubChem CID13320647
Molecular FormulaC14H29FO3Si
Molecular Weight292.47 g/mol
Exact Mass292.19
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate
SMILESCCOC(=O)C(F)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29FO3Si/c1-7-17-13(16)12(15)10-8-9-11-18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3
InChIKeyGXWWMQHCCXDYMU-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate (CID 13320647) is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate is CCOC(=O)C(F)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate?
The InChIKey is GXWWMQHCCXDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FO3Si/c1-7-17-13(16)12(15)10-8-9-11-18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate has a molecular weight of 292.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate is sourced from PubChem (CID 13320647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).