Propanoic acid, 2-methyl-2-(3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester

HCID 3045127

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Basic information

CAS: 58327-23-4
Standard SMILES: CC1CC(OC(=O)C(C)(C)Oc2cccc(C(F)(F)F)c2)CC(C)(C)C1
InChIKey: ZQIKVVUTIPPKNE-UHFFFAOYSA-N
Molecular formula: C20H27F3O3
Average molar mass: 372.4 g/mol
Monoisotopic mass: 372.19122921

Names & identifiers

Preferred name: Propanoic acid, 2-methyl-2-(3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester
IUPAC: (3,3,5-trimethylcyclohexyl) 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoate

Names & synonyms

BRN 230636258327-23-42-Methyl-2-(3-(trifluoromethyl)phenoxy)propanoic acid 3,3,5-trimethylcyclohexyl esterPropanoic acid, 2-methyl-2-(3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl esterRefChem:3747533,3,5-Trimethylcyclohexyl 2-methyl-2-(3-(trifluoromethyl)phenoxy)propanoate3,3,5-Trimethylcyclohexyl 2-methyl-2-[3-(trifluoromethyl)phenoxy]propanoateDTXSID10973892

Database identifiers

CAS: 58327-23-4
PubChem CID: 3045127
DTXSID: DTXSID10973892

Properties

Computed structural properties

XLogP: 6.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 499

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