(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol

C14H25F3O4Si — CID 102093229

IUPAC(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C(C(F)(F)F)[C@H]1O
InChIInChI=1S/C14H25F3O4Si/c1-13(2,3)22(5,6)20-8-9-7-10(14(15,16)17)11(18)12(19-4)21-9/h7,9,11-12,18H,8H2,1-6H3/t9-,11+,12-/m0/s1
InChIKeyPIBMSKBDVLIBKK-WCQGTBRESA-N
MW342.43 g/mol
LogP3.23
Rot. Bonds4

About (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol

(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 102093229) has the molecular formula C14H25F3O4Si and a molecular weight of 342.43 g/mol. Its IUPAC name is (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID102093229
Molecular FormulaC14H25F3O4Si
Molecular Weight342.43 g/mol
Exact Mass342.15
IUPAC Name(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C(C(F)(F)F)[C@H]1O
InChIInChI=1S/C14H25F3O4Si/c1-13(2,3)22(5,6)20-8-9-7-10(14(15,16)17)11(18)12(19-4)21-9/h7,9,11-12,18H,8H2,1-6H3/t9-,11+,12-/m0/s1
InChIKeyPIBMSKBDVLIBKK-WCQGTBRESA-N
XLogP3.23
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol (CID 102093229) is (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol is CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C(C(F)(F)F)[C@H]1O.
What is the InChIKey of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is PIBMSKBDVLIBKK-WCQGTBRESA-N. The full InChI is InChI=1S/C14H25F3O4Si/c1-13(2,3)22(5,6)20-8-9-7-10(14(15,16)17)11(18)12(19-4)21-9/h7,9,11-12,18H,8H2,1-6H3/t9-,11+,12-/m0/s1.
What are the key properties of (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol?
(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 342.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 102093229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).