9Z,11E-Hexadecadienal
PubChem CID
11172431
Structure
Molecular Formula
Synonyms
- 9Z,11E-Hexadecadienal
- (9Z,11E)-9,11-hexadecadienal
- (Z,E)-9,11-Hexadecadienal
- SCHEMBL1302307
- CHEBI:196158
Molecular Weight
236.39 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-10-26
- Modify:2025-01-04
Description
9Z,11E-Hexadecadienal is a fatty aldehyde.
9Z,11E-Hexadecadienal has been reported in Diatraea saccharalis with data available.
Chemical Structure Depiction
(9Z,11E)-hexadeca-9,11-dienal
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-8,16H,2-4,9-15H2,1H3/b6-5+,8-7-
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
YLYWMNJAJOQSGH-MDAAKZFYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCC/C=C/C=C\CCCCCCCC=O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H28O
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
236.39 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
5.7
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
12
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
236.214015512 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
236.214015512 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
17.1Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
204
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)
Fatty Acyls [FA] -> Fatty aldehydes [FA06]
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=YLYWMNJAJOQSGH-MDAAKZFYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBI9Z,11E-Hexadecadienalhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:196158
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/9Z,11E-Hexadecadienalhttps://www.wikidata.org/wiki/Q76416748LOTUS Treehttps://lotus.naturalproducts.net/
- Japan Chemical Substance Dictionary (Nikkaji)
- LIPID MAPSLipid Classificationhttps://www.lipidmaps.org/
- Metabolomics Workbench9Z,11E-Hexadecadienalhttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3615
- SpectraBase(9Z,11E)-Hexadeca-9,11-dienalhttps://spectrabase.com/spectrum/HE1Q7aOU5O8
- Springer Nature
- Wikidata(9Z,11E)-hexadeca-9,11-dienalhttps://www.wikidata.org/wiki/Q76416748
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388488810https://pubchem.ncbi.nlm.nih.gov/substance/388488810
CONTENTS