[(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate

C14H27FO4Si — CID 70170361

IUPAC[(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](C)[C@@H]1F
InChIInChI=1S/C14H27FO4Si/c1-9-13(15)11(18-10(2)16)8-12(17-9)19-20(6,7)14(3,4)5/h9,11-13H,8H2,1-7H3/t9-,11-,12-,13+/m1/s1
InChIKeyQGUBAXKOUZBKTQ-JHEVNIALSA-N
MW306.45 g/mol
LogP3.41
Rot. Bonds3

About [(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate

[(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate (PubChem CID 70170361) has the molecular formula C14H27FO4Si and a molecular weight of 306.45 g/mol. Its IUPAC name is [(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate
PubChem CID70170361
Molecular FormulaC14H27FO4Si
Molecular Weight306.45 g/mol
Exact Mass306.17
IUPAC Name[(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](C)[C@@H]1F
InChIInChI=1S/C14H27FO4Si/c1-9-13(15)11(18-10(2)16)8-12(17-9)19-20(6,7)14(3,4)5/h9,11-13H,8H2,1-7H3/t9-,11-,12-,13+/m1/s1
InChIKeyQGUBAXKOUZBKTQ-JHEVNIALSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate?
The IUPAC name of [(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate (CID 70170361) is [(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate.
What is the SMILES notation for [(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate?
The canonical SMILES for [(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate is CC(=O)O[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](C)[C@@H]1F.
What is the InChIKey of [(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate?
The InChIKey is QGUBAXKOUZBKTQ-JHEVNIALSA-N. The full InChI is InChI=1S/C14H27FO4Si/c1-9-13(15)11(18-10(2)16)8-12(17-9)19-20(6,7)14(3,4)5/h9,11-13H,8H2,1-7H3/t9-,11-,12-,13+/m1/s1.
What are the key properties of [(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate?
[(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate has a molecular weight of 306.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate is sourced from PubChem (CID 70170361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).