3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol

C11H21F3O2Si — CID 152705418

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1(C(F)(F)F)CC(O)C1
InChIInChI=1S/C11H21F3O2Si/c1-9(2,3)17(4,5)16-10(11(12,13)14)6-8(15)7-10/h8,15H,6-7H2,1-5H3
InChIKeyZSLSKSYJHVAPNY-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.46
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 152705418) has the molecular formula C11H21F3O2Si and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol
PubChem CID152705418
Molecular FormulaC11H21F3O2Si
Molecular Weight270.37 g/mol
Exact Mass270.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1(C(F)(F)F)CC(O)C1
InChIInChI=1S/C11H21F3O2Si/c1-9(2,3)17(4,5)16-10(11(12,13)14)6-8(15)7-10/h8,15H,6-7H2,1-5H3
InChIKeyZSLSKSYJHVAPNY-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol (CID 152705418) is 3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol is CC(C)(C)[Si](C)(C)OC1(C(F)(F)F)CC(O)C1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is ZSLSKSYJHVAPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2Si/c1-9(2,3)17(4,5)16-10(11(12,13)14)6-8(15)7-10/h8,15H,6-7H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 152705418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).