4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane

C15H27F3O — CID 176860467

IUPAC4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane
SMILESCC1C(C(C)(C)C)C(C(C)(C)C)OC1(C)C(F)(F)F
InChIInChI=1S/C15H27F3O/c1-9-10(12(2,3)4)11(13(5,6)7)19-14(9,8)15(16,17)18/h9-11H,1-8H3
InChIKeyMCNMHZCWLVDOGN-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.05
Rot. Bonds

About 4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane

4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane (PubChem CID 176860467) has the molecular formula C15H27F3O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane
PubChem CID176860467
Molecular FormulaC15H27F3O
Molecular Weight280.37 g/mol
Exact Mass280.20
IUPAC Name4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane
SMILESCC1C(C(C)(C)C)C(C(C)(C)C)OC1(C)C(F)(F)F
InChIInChI=1S/C15H27F3O/c1-9-10(12(2,3)4)11(13(5,6)7)19-14(9,8)15(16,17)18/h9-11H,1-8H3
InChIKeyMCNMHZCWLVDOGN-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane?
The IUPAC name of 4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane (CID 176860467) is 4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane.
What is the SMILES notation for 4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane?
The canonical SMILES for 4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane is CC1C(C(C)(C)C)C(C(C)(C)C)OC1(C)C(F)(F)F.
What is the InChIKey of 4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane?
The InChIKey is MCNMHZCWLVDOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3O/c1-9-10(12(2,3)4)11(13(5,6)7)19-14(9,8)15(16,17)18/h9-11H,1-8H3.
What are the key properties of 4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane?
4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane has a molecular weight of 280.37 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 176860467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).