Myristoleyl myristate
PubChem CID
56935924
Structure
Molecular Formula
Synonyms
- Myristoleyl myristate
- 9Z-tetradecenyl tetradecanoate
- WE(14:1(9Z)/14:0)
- CHEBI:165686
- LMFA07010091
Molecular Weight
422.7 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2012-04-18
- Modify:2025-01-04
Description
Myristoleyl myristate is a wax ester.
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
[(Z)-tetradec-9-enyl] tetradecanoate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C28H54O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-27H2,1-2H3/b11-9-
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
WOZMIYHLAHMXGG-LUAWRHEFSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C28H54O2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
422.7 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
12.1
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
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
25
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
422.412380961 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
422.412380961 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
26.3Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
30
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
362
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
1
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 2012.02.08)
205.22 Ų [M-H]- [CCS Type: TIMS; Method: single field calibrated]
Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
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
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- CCSbaseCCSbase Classificationhttps://ccsbase.net/
- ChEBIMyristoleyl myristatehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:165686
- LIPID MAPSLipid Classificationhttps://www.lipidmaps.org/
- Metabolomics WorkbenchMyristoleyl myristatehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3736
- Wikidata[(Z)-tetradec-9-enyl] tetradecanoatehttps://www.wikidata.org/wiki/Q76729381
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS