Ethyl nervonoate
PubChem CID
11153629
Structure
Molecular Formula
Synonyms
- Ethyl nervonoate
- 137888-64-3
- Ethyl (Z)-tetracos-15-enoate
- 15-Tetracosenoic acid, ethyl ester, (15Z)-
- Nevonic acid, ethyl ester
Molecular Weight
394.7 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-10-26
- Modify:2025-01-10
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
ethyl (Z)-tetracos-15-enoate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C26H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-4-2/h11-12H,3-10,13-25H2,1-2H3/b12-11-
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CTKJRXIVYBGZEW-QXMHVHEDSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C26H50O2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
137888-64-3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
394.7 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
11.2
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
23
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
394.381080833 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
394.381080833 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
26.3 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
28
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
335
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 2010.01.29)
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
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=CTKJRXIVYBGZEW-QXMHVHEDSA-N
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingETHYL NERVONOATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/O8AQ7ZLB86
- Springer Nature
- Wikidataethyl nervonoatehttps://www.wikidata.org/wiki/Q27285473
- PubChem
- PATENTSCOPE (WIPO)SID 388868828https://pubchem.ncbi.nlm.nih.gov/substance/388868828
CONTENTS