[5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate

C14H23F3O5 — CID 122663936

IUPAC[5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)COC(OCOC)(C(F)(F)F)C1
InChIInChI=1S/C14H23F3O5/c1-6-11(2,3)10(18)22-12(4)7-13(20-8-12,14(15,16)17)21-9-19-5/h6-9H2,1-5H3
InChIKeyWBKNWGMCAARCIE-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.02
Rot. Bonds6

About [5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate

[5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate (PubChem CID 122663936) has the molecular formula C14H23F3O5 and a molecular weight of 328.33 g/mol. Its IUPAC name is [5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
PubChem CID122663936
Molecular FormulaC14H23F3O5
Molecular Weight328.33 g/mol
Exact Mass328.15
IUPAC Name[5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)COC(OCOC)(C(F)(F)F)C1
InChIInChI=1S/C14H23F3O5/c1-6-11(2,3)10(18)22-12(4)7-13(20-8-12,14(15,16)17)21-9-19-5/h6-9H2,1-5H3
InChIKeyWBKNWGMCAARCIE-UHFFFAOYSA-N
XLogP3.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate?
The IUPAC name of [5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate (CID 122663936) is [5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C)COC(OCOC)(C(F)(F)F)C1.
What is the InChIKey of [5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate?
The InChIKey is WBKNWGMCAARCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O5/c1-6-11(2,3)10(18)22-12(4)7-13(20-8-12,14(15,16)17)21-9-19-5/h6-9H2,1-5H3.
What are the key properties of [5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate?
[5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate has a molecular weight of 328.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 122663936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).