(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol

C13H23F5O3Si — CID 22869058

IUPAC(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(O)O[C@@H]1C(F)(F)C(F)(F)F
InChIInChI=1S/C13H23F5O3Si/c1-11(2,3)22(4,5)21-8-6-7-9(19)20-10(8)12(14,15)13(16,17)18/h8-10,19H,6-7H2,1-5H3/t8-,9?,10-/m0/s1
InChIKeyPZBVTUZTKHSJFL-SMILAEQMSA-N
MW350.40 g/mol
LogP4.07
Rot. Bonds3

About (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol

(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol (PubChem CID 22869058) has the molecular formula C13H23F5O3Si and a molecular weight of 350.40 g/mol. Its IUPAC name is (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol.

Molecular Properties

Compound Name(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol
PubChem CID22869058
Molecular FormulaC13H23F5O3Si
Molecular Weight350.40 g/mol
Exact Mass350.13
IUPAC Name(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(O)O[C@@H]1C(F)(F)C(F)(F)F
InChIInChI=1S/C13H23F5O3Si/c1-11(2,3)22(4,5)21-8-6-7-9(19)20-10(8)12(14,15)13(16,17)18/h8-10,19H,6-7H2,1-5H3/t8-,9?,10-/m0/s1
InChIKeyPZBVTUZTKHSJFL-SMILAEQMSA-N
XLogP4.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol?
The IUPAC name of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol (CID 22869058) is (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol.
What is the SMILES notation for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol?
The canonical SMILES for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol is CC(C)(C)[Si](C)(C)O[C@H]1CCC(O)O[C@@H]1C(F)(F)C(F)(F)F.
What is the InChIKey of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol?
The InChIKey is PZBVTUZTKHSJFL-SMILAEQMSA-N. The full InChI is InChI=1S/C13H23F5O3Si/c1-11(2,3)22(4,5)21-8-6-7-9(19)20-10(8)12(14,15)13(16,17)18/h8-10,19H,6-7H2,1-5H3/t8-,9?,10-/m0/s1.
What are the key properties of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol?
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol has a molecular weight of 350.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol is sourced from PubChem (CID 22869058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).