skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > ester > carboxylic ester > cyclandelate
organooxygen compound > carbonyl compound > carboxylic ester > cyclandelate
... > 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 > cyclandelate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > cyclandelate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > cyclandelate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > cyclandelate

Preferred term

cyclandelate  

Type

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

Broader concept

charge

  • 0

formula

  • C17H24O3

has_functional_parent

has_role

inchi

  • InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3

inchikey

  • WZHCOOQXZCIUNC-UHFFFAOYSA-N

mass

  • 276.37070

monoisotopicmass

  • 276.17254

smiles

  • CC1CC(CC(C)(C)C1)OC(=O)C(O)c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • 3,3,5-trimethylcyclohexyl hydroxy(phenyl)acetate

synonym RELATED

  • 3,3,5-trimethylcyclohexyl mandelate
  • 3,5,5-trimethylcyclohexyl amygdalate
  • ciclandelato
  • cyclandelate
  • cyclandelatum

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3988

Download this concept:

RDF/XML TURTLE JSON-LD