5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol

C12H23F3O3Si — CID 15477035

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(O)OC1C(F)(F)F
InChIInChI=1S/C12H23F3O3Si/c1-11(2,3)19(4,5)18-8-6-7-9(16)17-10(8)12(13,14)15/h8-10,16H,6-7H2,1-5H3
InChIKeyFNIKQKLRTIMGRY-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.44
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol

5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol (PubChem CID 15477035) has the molecular formula C12H23F3O3Si and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol
PubChem CID15477035
Molecular FormulaC12H23F3O3Si
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(O)OC1C(F)(F)F
InChIInChI=1S/C12H23F3O3Si/c1-11(2,3)19(4,5)18-8-6-7-9(16)17-10(8)12(13,14)15/h8-10,16H,6-7H2,1-5H3
InChIKeyFNIKQKLRTIMGRY-UHFFFAOYSA-N
XLogP3.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol (CID 15477035) is 5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol is CC(C)(C)[Si](C)(C)OC1CCC(O)OC1C(F)(F)F.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol?
The InChIKey is FNIKQKLRTIMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O3Si/c1-11(2,3)19(4,5)18-8-6-7-9(16)17-10(8)12(13,14)15/h8-10,16H,6-7H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol?
5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol has a molecular weight of 300.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 15477035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).