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

C15H25F3O3 — CID 146493137

IUPAC[3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate
SMILESCC(C)CC(C)(C)C(=O)OC1OC(C)(C(F)(F)F)CC1C
InChIInChI=1S/C15H25F3O3/c1-9(2)7-13(4,5)12(19)20-11-10(3)8-14(6,21-11)15(16,17)18/h9-11H,7-8H2,1-6H3
InChIKeyKHCNRWGSHNWFOR-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.31
Rot. Bonds4

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

[3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate (PubChem CID 146493137) has the molecular formula C15H25F3O3 and a molecular weight of 310.36 g/mol. Its IUPAC name is [3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate.

Molecular Properties

Compound Name[3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate
PubChem CID146493137
Molecular FormulaC15H25F3O3
Molecular Weight310.36 g/mol
Exact Mass310.18
IUPAC Name[3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate
SMILESCC(C)CC(C)(C)C(=O)OC1OC(C)(C(F)(F)F)CC1C
InChIInChI=1S/C15H25F3O3/c1-9(2)7-13(4,5)12(19)20-11-10(3)8-14(6,21-11)15(16,17)18/h9-11H,7-8H2,1-6H3
InChIKeyKHCNRWGSHNWFOR-UHFFFAOYSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate?
The IUPAC name of [3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate (CID 146493137) is [3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate.
What is the SMILES notation for [3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate?
The canonical SMILES for [3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate is CC(C)CC(C)(C)C(=O)OC1OC(C)(C(F)(F)F)CC1C.
What is the InChIKey of [3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate?
The InChIKey is KHCNRWGSHNWFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O3/c1-9(2)7-13(4,5)12(19)20-11-10(3)8-14(6,21-11)15(16,17)18/h9-11H,7-8H2,1-6H3.
What are the key properties of [3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate?
[3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate has a molecular weight of 310.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate is sourced from PubChem (CID 146493137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).