methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate

C14H29FO3Si — CID 99770878

IUPACmethyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate
SMILESCOC(=O)[C@H](F)CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29FO3Si/c1-14(2,3)19(5,6)18-11-9-7-8-10-12(15)13(16)17-4/h12H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyFYJMNVMKZNEKFC-GFCCVEGCSA-N
MW292.47 g/mol
LogP4.08
Rot. Bonds8

About methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate

methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate (PubChem CID 99770878) has the molecular formula C14H29FO3Si and a molecular weight of 292.47 g/mol. Its IUPAC name is methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate.

Molecular Properties

Compound Namemethyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate
PubChem CID99770878
Molecular FormulaC14H29FO3Si
Molecular Weight292.47 g/mol
Exact Mass292.19
IUPAC Namemethyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate
SMILESCOC(=O)[C@H](F)CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29FO3Si/c1-14(2,3)19(5,6)18-11-9-7-8-10-12(15)13(16)17-4/h12H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyFYJMNVMKZNEKFC-GFCCVEGCSA-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 methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate?
The IUPAC name of methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate (CID 99770878) is methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate.
What is the SMILES notation for methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate?
The canonical SMILES for methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate is COC(=O)[C@H](F)CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate?
The InChIKey is FYJMNVMKZNEKFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29FO3Si/c1-14(2,3)19(5,6)18-11-9-7-8-10-12(15)13(16)17-4/h12H,7-11H2,1-6H3/t12-/m1/s1.
What are the key properties of methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate?
methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate 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 methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate is sourced from PubChem (CID 99770878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).