skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enone > 1-hepten-3-one
... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 1-hepten-3-one
... > 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 > ketone > alpha,beta-unsaturated ketone > enone > 1-hepten-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 1-hepten-3-one

Preferred term

1-hepten-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C7H12O

has_role

inchi

  • InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3

inchikey

  • OYLCUJRJCUXQBQ-UHFFFAOYSA-N

mass

  • 112.16960

monoisotopicmass

  • 112.08882

smiles

  • CCCCC(=O)C=C

subset

  • 3_STAR

synonym EXACT

  • hept-1-en-3-one

synonym RELATED

  • n-butylacrolein
  • vinyl butyl ketone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87567

Download this concept:

RDF/XML TURTLE JSON-LD