[5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate

C15H23F3O4 — CID 154542190

IUPAC[5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate
SMILESCC1(C)OC(=O)C(OC(=O)C(C)(C)C(C)(C)C)C1C(F)(F)F
InChIInChI=1S/C15H23F3O4/c1-12(2,3)13(4,5)11(20)21-8-9(15(16,17)18)14(6,7)22-10(8)19/h8-9H,1-7H3
InChIKeyKFMXLOMVGODCJX-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.48
Rot. Bonds2

About [5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate

[5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate (PubChem CID 154542190) has the molecular formula C15H23F3O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate.

Molecular Properties

Compound Name[5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate
PubChem CID154542190
Molecular FormulaC15H23F3O4
Molecular Weight324.34 g/mol
Exact Mass324.15
IUPAC Name[5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate
SMILESCC1(C)OC(=O)C(OC(=O)C(C)(C)C(C)(C)C)C1C(F)(F)F
InChIInChI=1S/C15H23F3O4/c1-12(2,3)13(4,5)11(20)21-8-9(15(16,17)18)14(6,7)22-10(8)19/h8-9H,1-7H3
InChIKeyKFMXLOMVGODCJX-UHFFFAOYSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate?
The IUPAC name of [5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate (CID 154542190) is [5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate.
What is the SMILES notation for [5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate?
The canonical SMILES for [5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate is CC1(C)OC(=O)C(OC(=O)C(C)(C)C(C)(C)C)C1C(F)(F)F.
What is the InChIKey of [5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate?
The InChIKey is KFMXLOMVGODCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O4/c1-12(2,3)13(4,5)11(20)21-8-9(15(16,17)18)14(6,7)22-10(8)19/h8-9H,1-7H3.
What are the key properties of [5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate?
[5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate has a molecular weight of 324.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-2-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 154542190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).