(Q27253023)

5-PENTYL-1,4-DIOXAN-2-ONE (English)

14 October 2016

chemical formula

C₉H₁₆O₃

1 reference

5-PENTYL-1,4-DIOXAN-2-ONE (English)

14 October 2016

canonical SMILES

CCCCCC1COC(=O)CO1

1 reference

5-PENTYL-1,4-DIOXAN-2-ONE (English)

InChI=1S/C9H16O3/c1-2-3-4-5-8-6-12-9(10)7-11-8/h8H,2-7H2,1H3

14 October 2016

Identifiers

InChI

1 reference

5-PENTYL-1,4-DIOXAN-2-ONE (English)

14 October 2016

1 reference

Global Substance Registration System

5-PENTYL-1,4-DIOXAN-2-ONE (English)

14 October 2016

2 references

UNII

1X80PRB9BH

5-pentyl-1,4-dioxan-2-one (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=93263-93-5

10 April 2021

1 reference

5-Pentyl-1,4-dioxan-2-one (English)

14 October 2016

1 reference

5-PENTYL-1,4-DIOXAN-2-ONE (English)

matched by identifier from

14 October 2016

ChEBI ID

171937

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C9H16O3/c1-2-3-4-5-8-6-12-9(10)7-11-8/h8H,2-7H2,1H3

1 reference

0 references

DSSTOX compound identifier

DTXCID701323832

0 references

Human Metabolome Database ID

HMDB0059936

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

Global Substance Registration System

UNII

1X80PRB9BH

2 references

stated in

UNII

1X80PRB9BH

5-pentyl-1,4-dioxan-2-one (English)

matched by identifier from

14 October 2016