CAS 52221-08-6 1-(1,1-Dimethylethyl) 6-methyl hexanedioate (HCID 18475035)

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Basic information

CAS: 52221-08-6
Standard SMILES: COC(=O)CCCCC(=O)OC(C)(C)C
InChIKey: VCMUNYJBOXMXEA-UHFFFAOYSA-N
Molecular formula: C11H20O4
Average molar mass: 216.27 g/mol
Monoisotopic mass: 216.13615912

Names & identifiers

Preferred name: 1-(1,1-Dimethylethyl) 6-methyl hexanedioate
IUPAC: 6-O-tert-butyl 1-O-methyl hexanedioate
English name: Hexanedioic acid, 1-(1,1-dimethylethyl) 6-methyl ester
Molecular formula: C11H20O4
Molecular weight: 216.27

Names & synonyms

52221-08-61-(1,1-Dimethylethyl) 6-methyl hexanedioateRefChem:222252tert-butyl methyl adipatemethyl t-butyl adipatet-Butyl methyl adipatetert-Butyl methyl hexanedioateorb3022134SCHEMBL1403588Hexanedioic acid, 1-(1,1-dimethylethyl) 6-methyl esterDTXSID601260328MFCD26402417

Show more names

tert-Butyl methyl adipate - [B73325]

TYD-018856-O-tert-butyl 1-O-methyl hexanedioateBP-29671SY318813hexanedioic acid tert-butyl ester methyl esterF78590

Database identifiers

CAS: 52221-08-6
PubChem CID: 18475035
DTXSID: DTXSID601260328

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 215

Chemistry & industry

Applications · 1 item

Usestert-Butyl methyl adipate is a linker with an methyl ester group and a t-butyl ester. The methyl ester groups can be hydrolyzed, reduced, or substituted under different conditions. The t-butyl protected carboxyl group can be deprotected under acidic conditions.