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(3E)-pentamethylheptenone

chemical compound
ChemicalSubstance group_of_stereoisomers Q27266711
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(3E)-pentamethylheptenone

Summary

(3E)-pentamethylheptenone is a group of stereoisomers[1].

Key Facts

  • (3E)-pentamethylheptenone's instance of is recorded as group of stereoisomers[2].
  • (3E)-pentamethylheptenone's CAS Registry Number is recorded as 81786-74-5[3].
  • (3E)-pentamethylheptenone's EC number is recorded as 279-823-4[4].
  • (3E)-pentamethylheptenone's canonical SMILES is recorded as CC(C(=C(C)C(=O)C)C)C(C)(C)C[5].
  • (3E)-pentamethylheptenone's InChI is recorded as InChI=1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8+[6].
  • (3E)-pentamethylheptenone's InChIKey is recorded as IXIYWQIFBRZMNR-CMDGGOBGSA-N[7].
  • (3E)-pentamethylheptenone's chemical formula is recorded as C₁₂H₂₂O[8].
  • (3E)-pentamethylheptenone's subclass of is recorded as chemical compound[9].
  • (3E)-pentamethylheptenone's UNII is recorded as 794M63V15G[10].
  • (3E)-pentamethylheptenone's ChemSpider ID is recorded as 4896504[11].
  • (3E)-pentamethylheptenone's PubChem CID is recorded as 6365813[12].
  • (3E)-pentamethylheptenone's isomeric SMILES is recorded as CC(/C(=C(\C)/C(=O)C)/C)C(C)(C)C[13].
  • (3E)-pentamethylheptenone's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+182.167'}[14].
  • (3E)-pentamethylheptenone's ECHA Substance Infocard ID is recorded as 100.072.545[15].
  • (3E)-pentamethylheptenone's SureChEMBL ID is recorded as 236626[16].
  • (3E)-pentamethylheptenone's SureChEMBL ID is recorded as 236625[17].
  • (3E)-pentamethylheptenone's DSSTox substance ID is recorded as DTXSID3052563[18].
  • (3E)-pentamethylheptenone's DSSTOX compound identifier is recorded as DTXCID0031136[19].
  • (3E)-pentamethylheptenone's UniChem compound ID is recorded as 58894909[20].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . Global Substance Registration System. Retrieved . commonchemistry.cas.org. Provenance: wikidata.org.
  3. [4] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  4. [5] ↑ . PubChem. Retrieved . wikidata.org.
  5. [6] ↑ . PubChem. Retrieved . wikidata.org.
  6. [7] ↑ . PubChem. Retrieved . wikidata.org.
  7. [8] ↑ . PubChem. Retrieved . wikidata.org.
  8. [9] ↑ . wikidata.org.
  9. [10] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  10. [11] ↑ . Q2311683. Retrieved . wikidata.org.
  11. [12] ↑ . PubChem. Retrieved . wikidata.org.
  12. [13] ↑ . PubChem. Retrieved . wikidata.org.
  13. [14] ↑ . PubChem. Retrieved . wikidata.org.
  14. [15] ↑ . ECHA Substance Infocard database. Retrieved . wikidata.org.
  15. [16] ↑ . wikidata.org.
  16. [17] ↑ . wikidata.org.
  17. [18] ↑ . Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard. wikidata.org.
  18. [19] ↑ . wikidata.org.
  19. [20] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

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BibTeX @misc{4ortxyz_-3e-pentamethylheptenone_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{(3E)-pentamethylheptenone}}, year = {2026}, url = {https://4ort.xyz/entity/-3e-pentamethylheptenone}, note = {Accessed: 2026-05-03}}
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