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

C14H23F3O3 — CID 146492795

IUPAC[5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate
SMILESCC(C)CC(C)(C)C(=O)OC1CCC(C)(C(F)(F)F)O1
InChIInChI=1S/C14H23F3O3/c1-9(2)8-12(3,4)11(18)19-10-6-7-13(5,20-10)14(15,16)17/h9-10H,6-8H2,1-5H3
InChIKeyKZKBUTNOCZYRRL-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.06
Rot. Bonds4

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

[5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate (PubChem CID 146492795) has the molecular formula C14H23F3O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate.

Molecular Properties

Compound Name[5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate
PubChem CID146492795
Molecular FormulaC14H23F3O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name[5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate
SMILESCC(C)CC(C)(C)C(=O)OC1CCC(C)(C(F)(F)F)O1
InChIInChI=1S/C14H23F3O3/c1-9(2)8-12(3,4)11(18)19-10-6-7-13(5,20-10)14(15,16)17/h9-10H,6-8H2,1-5H3
InChIKeyKZKBUTNOCZYRRL-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4,4-Difluoro-5-(1-methoxy-2-methylpropoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
CID 59310436
[4,4-Difluoro-5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
CID 68188952
[5-(Methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
CID 122663936
[5,5-Bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate
CID 146492797
[3,5-Dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate
CID 146493137
[5,5-Bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylbutanoate
CID 155764699
[3,5-Dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2,2-dimethylbutanoate
CID 157355191
[5-Methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2-dimethylbutanoate
CID 157599950
[3,5-Dimethyl-5-(trifluoromethyl)oxolan-2-yl] 2-fluoro-2-methylbutanoate
CID 157599951
2-[3,5-Dimethyl-5-(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylbutanoate
CID 157599957
[2-[3,5-Dimethyl-5-(trifluoromethyl)oxolan-2-yl]oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 160264210
2-[3-Methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate
CID 162610371

Frequently Asked Questions

What is the IUPAC name of [5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate?
The IUPAC name of [5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate (CID 146492795) is [5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate.
What is the SMILES notation for [5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate?
The canonical SMILES for [5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate is CC(C)CC(C)(C)C(=O)OC1CCC(C)(C(F)(F)F)O1.
What is the InChIKey of [5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate?
The InChIKey is KZKBUTNOCZYRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O3/c1-9(2)8-12(3,4)11(18)19-10-6-7-13(5,20-10)14(15,16)17/h9-10H,6-8H2,1-5H3.
What are the key properties of [5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate?
[5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate has a molecular weight of 296.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-5-(trifluoromethyl)oxolan-2-yl] 2,2,4-trimethylpentanoate is sourced from PubChem (CID 146492795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).