4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol

C13H27FO4Si — CID 18781504

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol
SMILESCOC1OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C1F
InChIInChI=1S/C13H27FO4Si/c1-8-10(15)11(9(14)12(16-5)17-8)18-19(6,7)13(2,3)4/h8-12,15H,1-7H3
InChIKeyVDASAZLZRGYSOZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.47
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol

4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol (PubChem CID 18781504) has the molecular formula C13H27FO4Si and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol
PubChem CID18781504
Molecular FormulaC13H27FO4Si
Molecular Weight294.44 g/mol
Exact Mass294.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol
SMILESCOC1OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C1F
InChIInChI=1S/C13H27FO4Si/c1-8-10(15)11(9(14)12(16-5)17-8)18-19(6,7)13(2,3)4/h8-12,15H,1-7H3
InChIKeyVDASAZLZRGYSOZ-UHFFFAOYSA-N
XLogP2.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
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 4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol (CID 18781504) is 4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol is COC1OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C1F.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol?
The InChIKey is VDASAZLZRGYSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FO4Si/c1-8-10(15)11(9(14)12(16-5)17-8)18-19(6,7)13(2,3)4/h8-12,15H,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol?
4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol has a molecular weight of 294.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol is sourced from PubChem (CID 18781504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).