2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid
PubChem CID
11336822
Structure
Molecular Formula
Synonyms
- 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid
- 413624-71-2
- 8-oxo-2,2,14,14-tetramethylpentadecanedioic acid
- BM8TET768Q
- SCHEMBL186492
Molecular Weight
342.5 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2006-10-26
- Modify:2025-01-11
Chemical Structure Depiction
2,2,14,14-tetramethyl-8-oxopentadecanedioic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C19H34O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h5-14H2,1-4H3,(H,21,22)(H,23,24)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
NHVXRVOYVVPVDU-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(C)(CCCCCC(=O)CCCCCC(C)(C)C(=O)O)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H34O5
Computed by PubChem 2.2 (PubChem release 2024.11.20)
413624-71-2
- 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid
- 4MeOPDA
- 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid
- 413624-71-2
- 8-oxo-2,2,14,14-tetramethylpentadecanedioic acid
- BM8TET768Q
- SCHEMBL186492
- 2,2,14,14-tetramethyl-8-oxo-pentadecanedioic Acid
- CHEMBL365296
- NHVXRVOYVVPVDU-UHFFFAOYSA-N
- C19H34O5
- ESP15228
- ARD193877
- ESP-15228
- AKOS030621776
- MS-25249
- PD193074
- DB-089629
- HY-136584
- CS-0131890
- F70673
- Pentadecanedioic acid, 2,2,14,14-tetramethyl-8-oxo-
- 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid_Bempedoic Acid Impurity 1_
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
342.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
4.3
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
14
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
342.24062418 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
342.24062418 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
91.7 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
385
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
0
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 2021.10.14)
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
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NHVXRVOYVVPVDU-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- 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#linking2,2,14,14-Tetramethyl-8-oxopentadecanedioic acidhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/BM8TET768Q
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html2,2,14,14-tetramethyl-8-oxopentadecanedioic acidhttps://www.ncbi.nlm.nih.gov/mesh/67494560
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 404099603https://pubchem.ncbi.nlm.nih.gov/substance/404099603
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