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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > 3-methylbutyl octanoate
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > 3-methylbutyl octanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > 3-methylbutyl octanoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > 3-methylbutyl octanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > 3-methylbutyl octanoate

Preferred term

3-methylbutyl octanoate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C13H26O2

has_functional_parent

has_role

inchi

  • InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3

inchikey

  • XKWSWANXMRXDES-UHFFFAOYSA-N

mass

  • 214.34430

monoisotopicmass

  • 214.19328

smiles

  • CCCCCCCC(=O)OCCC(C)C

subset

  • 3_STAR

synonym EXACT

  • 3-methylbutyl octanoate

synonym RELATED

  • isoamyl caprylate
  • isoamyl octanoate
  • isopentyl octanoate
  • octanoic acid isopentyl ester

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87536

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