(12E)-oxacyclohexadecen-2-one (Q27273095)

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chemical compound

• Habanolide

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Language	Label	Description	Also known as
English	(12E)-oxacyclohexadecen-2-one	chemical compound	Habanolide

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Habanolide.svg
390 × 365; 9 KB

0 references

mass

238.193±0 dalton

1 reference

stated in

PubChem

PubChem CID

9856149

language of work or name

English

title

UNII-9SP3WD261B (English)

retrieved

14 October 2016

chemical formula

C₁₅H₂₆O₂

1 reference

stated in

PubChem

PubChem CID

9856149

language of work or name

English

title

UNII-9SP3WD261B (English)

retrieved

14 October 2016

canonical SMILES

C1CCCCC=CCCCOC(=O)CCCC1

1 reference

stated in

PubChem

PubChem CID

9856149

language of work or name

English

title

UNII-9SP3WD261B (English)

retrieved

14 October 2016

isomeric SMILES

C1CCCC/C=C/CCCOC(=O)CCCC1

1 reference

stated in

PubChem

PubChem CID

9856149

language of work or name

English

title

UNII-9SP3WD261B (English)

retrieved

14 October 2016

Identifiers

InChI

InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h6,8H,1-5,7,9-14H2/b8-6+

1 reference

stated in

PubChem

PubChem CID

9856149

language of work or name

English

title

UNII-9SP3WD261B (English)

retrieved

14 October 2016

InChIKey

ZYXGECMFJMLZNA-SOFGYWHQSA-N

1 reference

stated in

PubChem

PubChem CID

9856149

language of work or name

English

title

UNII-9SP3WD261B (English)

retrieved

14 October 2016

CAS Registry Number

111879-80-2

2 references

stated in

Global Substance Registration System

UNII

9SP3WD261B

language of work or name

English

title

(12E)-oxacyclohexadecen-2-one (English)

retrieved

14 October 2016

InChIKey

ZYXGECMFJMLZNA-SOFGYWHQSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=111879-80-2

ChemSpider ID

8031849

1 reference

stated in

ChemSpider

ChemSpider ID

8031849

language of work or name

English

title

oxacyclohexadec-12-en-2-one (English)

retrieved

14 October 2016

PubChem CID

9856149

2 references

stated in

PubChem

PubChem CID

9856149

language of work or name

English

title

UNII-9SP3WD261B (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

ZYXGECMFJMLZNA-SOFGYWHQSA-N

SureChEMBL ID

SCHEMBL112283

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZYXGECMFJMLZNA-SOFGYWHQSA-N

SCHEMBL291216

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZYXGECMFJMLZNA-SOFGYWHQSA-N

UniChem compound ID

33561586

1 reference

stated in

UniChem

ZVG number

902316

0 references

DSSTox substance ID

DTXSID5051313

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

ZYXGECMFJMLZNA-SOFGYWHQSA-N

DSSTOX compound identifier

DTXCID6029915

0 references

EC number

634-655-4

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.114.048

retrieved

27 December 2018

title

Oxacyclohexadec-12-En-2-One, (12e)- (English)

quotation

CAS no.: 111879-80-2 (English)

ECHA Substance Infocard ID

100.114.048

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.114.048

retrieved

27 December 2018

title

Oxacyclohexadec-12-En-2-One, (12e)- (English)

quotation

CAS no.: 111879-80-2 (English)

UNII

9SP3WD261B

2 references

stated in

Global Substance Registration System

UNII

9SP3WD261B

language of work or name

English

title

(12E)-oxacyclohexadecen-2-one (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

ZYXGECMFJMLZNA-SOFGYWHQSA-N

 

Sitelinks

Wikipedia(1 entry)

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• itwiki Habanolide

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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