5-(2-Tert-butyl-5-methylphenoxy)-2,2-dimethylpentanoic acid

HCID 65254754

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Basic information

CAS: 25812-32-2
Standard SMILES: Cc1ccc(C(C)(C)C)c(OCCCC(C)(C)C(=O)O)c1
InChIKey: RQQDZUJQLUKWKZ-UHFFFAOYSA-N
Molecular formula: C18H28O3
Average molar mass: 292.4 g/mol
Monoisotopic mass: 292.20384475

Names & identifiers

Preferred name: 5-(2-Tert-butyl-5-methylphenoxy)-2,2-dimethylpentanoic acid
IUPAC: 5-(2-tert-butyl-5-methylphenoxy)-2,2-dimethylpentanoic acid

Names & synonyms

DTXSID401159929AKOS0145893425-(2-tert-butyl-5-methylphenoxy)-2,2-dimethylpentanoic acid5-[2-(1,1-Dimethylethyl)-5-methylphenoxy]-2,2-dimethylpentanoic acid25812-32-2

Database identifiers

CAS: 25812-32-2
PubChem CID: 65254754
DTXSID: DTXSID401159929

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 341

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