(Q27270690)

5-METHYL-3-HEXEN-2-ONE (English)

14 October 2016

chemical formula

C₇H₁₂O

1 reference

5-METHYL-3-HEXEN-2-ONE (English)

14 October 2016

canonical SMILES

CC(C)C=CC(=O)C

1 reference

5-METHYL-3-HEXEN-2-ONE (English)

14 October 2016

isomeric SMILES

CC(C)/C=C/C(=O)C

1 reference

GC/MS Analysis of the Leaf Oil ofCryptomeria japonicaD. Don from Reunion Island

5-METHYL-3-HEXEN-2-ONE (English)

14 October 2016

1 reference

Identifiers

InChI

InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+

1 reference

5-METHYL-3-HEXEN-2-ONE (English)

14 October 2016

1 reference

Global Substance Registration System

5-METHYL-3-HEXEN-2-ONE (English)

14 October 2016

2 references

UNII

8L0NZD2EIQ

5-methyl-3-hexen-2-one (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1821-29-0

10 April 2021

1 reference

(E)-5-Methyl-3-hexen-2-one (English)

14 October 2016

2 references

5-METHYL-3-HEXEN-2-ONE (English)

14 October 2016

ChEBI ID

195655

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+

SureChEMBL ID

SCHEMBL320739

2 references

based on heuristic

inferred from InChIKey

SCHEMBL320740

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

Global Substance Registration System

EC number

225-950-5

1 reference

stated in

UNII

8L0NZD2EIQ

Global Substance Registration System

5-methyl-3-hexen-2-one (English)

14 October 2016

2 references

UNII

8L0NZD2EIQ

5-methyl-3-hexen-2-one (English)

14 October 2016

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

1 reference