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Home > Encyclopedia > 1,1-Dimethylethyl 3,5,5-trimethylhexanoate

1,1-Dimethylethyl 3,5,5-trimethylhexanoate

1,1-Dimethylethyl 3,5,5-trimethylhexanoate structure

1,1-Dimethylethyl 3,5,5-trimethylhexanoate 

structure
  • CAS No:

    71436-96-9

  • Formula:

    C13H26O2

  • Chemical Name:

    1,1-Dimethylethyl 3,5,5-trimethylhexanoate

  • Synonyms:

    Hexanoic acid,3,5,5-trimethyl-,1,1-dimethylethyl ester;1,1-Dimethylethyl 3,5,5-trimethylhexanoate;tert-Butyl 3,5,5-trimethylhexanoate

1,1-Dimethylethyl 3,5,5-trimethylhexanoate Basic Attributes

214.34400

214.34

275-455-3

Characteristics

26.30000

3.64800

0.866g/cm3

220.5ºC at 760 mmHg

90.5ºC

1.43

Computed Properties

Molecular Weight:214.34
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:214.193280068
Monoisotopic Mass:214.193280068
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:189
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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