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

1-Methylethyl 3,5,5-trimethylhexanoate

1-Methylethyl 3,5,5-trimethylhexanoate structure

1-Methylethyl 3,5,5-trimethylhexanoate 

structure
  • CAS No:

    53451-16-4

  • Formula:

    C12H24O2

  • Chemical Name:

    1-Methylethyl 3,5,5-trimethylhexanoate

  • Synonyms:

    Hexanoic acid,3,5,5-trimethyl-,1-methylethyl ester;1-Methylethyl 3,5,5-trimethylhexanoate;Isopropyl 3,5,5-trimethylhexanoate

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

200.32 g/mol

200.32

258-563-5

Characteristics

26.3 Ų

Computed Properties

Molecular Weight:200.32
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:200.177630004
Monoisotopic Mass:200.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:177
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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