(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol

C12H21F3O3Si — CID 22880106

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC(O)O[C@@H]1C(F)(F)F
InChIInChI=1S/C12H21F3O3Si/c1-11(2,3)19(4,5)18-8-6-7-9(16)17-10(8)12(13,14)15/h6-10,16H,1-5H3/t8-,9?,10-/m0/s1
InChIKeyIUUADCOWJZPHKS-SMILAEQMSA-N
MW298.38 g/mol
LogP3.21
Rot. Bonds2

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol (PubChem CID 22880106) has the molecular formula C12H21F3O3Si and a molecular weight of 298.38 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol
PubChem CID22880106
Molecular FormulaC12H21F3O3Si
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC(O)O[C@@H]1C(F)(F)F
InChIInChI=1S/C12H21F3O3Si/c1-11(2,3)19(4,5)18-8-6-7-9(16)17-10(8)12(13,14)15/h6-10,16H,1-5H3/t8-,9?,10-/m0/s1
InChIKeyIUUADCOWJZPHKS-SMILAEQMSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol (CID 22880106) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol is CC(C)(C)[Si](C)(C)O[C@H]1C=CC(O)O[C@@H]1C(F)(F)F.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is IUUADCOWJZPHKS-SMILAEQMSA-N. The full InChI is InChI=1S/C12H21F3O3Si/c1-11(2,3)19(4,5)18-8-6-7-9(16)17-10(8)12(13,14)15/h6-10,16H,1-5H3/t8-,9?,10-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 298.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 22880106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).