tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane

C25H41F3O3Si2 — CID 10839181

IUPACtert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2ccc(C(F)(F)F)cc2)C=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H41F3O3Si2/c1-23(2,3)32(7,8)29-17-22-21(31-33(9,10)24(4,5)6)16-15-20(30-22)18-11-13-19(14-12-18)25(26,27)28/h11-16,20-22H,17H2,1-10H3/t20-,21+,22-/m1/s1
InChIKeyCQZNABDPCHXNFF-BHIFYINESA-N
MW502.77 g/mol
LogP8.11
Rot. Bonds6

About tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane

tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane (PubChem CID 10839181) has the molecular formula C25H41F3O3Si2 and a molecular weight of 502.77 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
PubChem CID10839181
Molecular FormulaC25H41F3O3Si2
Molecular Weight502.77 g/mol
Exact Mass502.25
IUPAC Nametert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2ccc(C(F)(F)F)cc2)C=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H41F3O3Si2/c1-23(2,3)32(7,8)29-17-22-21(31-33(9,10)24(4,5)6)16-15-20(30-22)18-11-13-19(14-12-18)25(26,27)28/h11-16,20-22H,17H2,1-10H3/t20-,21+,22-/m1/s1
InChIKeyCQZNABDPCHXNFF-BHIFYINESA-N
XLogP8.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 58.11
H-Bond Donors ≤ 50
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 tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane (CID 10839181) is tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2ccc(C(F)(F)F)cc2)C=C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The InChIKey is CQZNABDPCHXNFF-BHIFYINESA-N. The full InChI is InChI=1S/C25H41F3O3Si2/c1-23(2,3)32(7,8)29-17-22-21(31-33(9,10)24(4,5)6)16-15-20(30-22)18-11-13-19(14-12-18)25(26,27)28/h11-16,20-22H,17H2,1-10H3/t20-,21+,22-/m1/s1.
What are the key properties of tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane has a molecular weight of 502.77 g/mol, XLogP of 8.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10839181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).