This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

6,10-Dimethylundecan-2-one

PubChem CID: 95495

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms 6,10-Dimethylundecan-2-one, 2-Undecanone, 6,10-dimethyl-, Hexahydropseudoionone, 1604-34-8, 6,10-Dimethyl-2-undecanone, Tetrahydrogeranylacetone, Pseudoionone, hexahydro-, UNII-91TGG00357, EINECS 216-509-8, EINECS 262-082-6, NSC 15338, NSC-15338, 91TGG00357, 6,10-dimethylundecane-2-one, AI3-15989, DTXSID80862709, (1)-6,10-Dimethylundecan-2-one, 2,6-DIMETHYLUNDECANE-10-ONE, NSC15338, Pseudoionone, hexahydro, 6,10Dimethyl2undecanone, 6,10Dimethylundecan2one, 2-Undecanone,10-dimethyl-, SCHEMBL117939, DTXCID80811439, STL562193, AKOS006281602, 60148-93-8, DB-282712, CS-0263271, NS00046467, E85200, EN300-8588865, Q27271425, 216-509-8, 262-082-6
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Oxygenated hydrocarbons
Deep Smiles CCCCCC=O)C)))))CCCCC)C
Heavy Atom Count 14.0
Classyfire Class Organooxygen compounds
Description 6,10-dimethylundecan-2-one is a member of the class of compounds known as ketones. Ketones are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. 6,10-dimethylundecan-2-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 6,10-dimethylundecan-2-one can be found in tea, which makes 6,10-dimethylundecan-2-one a potential biomarker for the consumption of this food product.
Classyfire Subclass Carbonyl compounds
Isotope Atom Count 0.0
Molecular Complexity 149.0
Database Name cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6,10-dimethylundecan-2-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp 4.5
Gsk 4 400 Rule False
Molecular Formula C13H26O
Prediction Swissadme 0.0
Inchi Key RBGLEUBCAJNCTR-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.9230769230769232
Logs -4.629
Rotatable Bond Count 8.0
Logd 4.597
Synonyms (1)-6,10-Dimethylundecan-2-one, 2-Undecanone, 6,10-dimethyl-, 6,10-Dimethyl-2-undecanone, 6,10-Dimethylundecan-2-one, Hexahydropseudoionone, Pseudoionone, hexahydro-, Tetrahydrogeranylacetone, 2-undecanone, 6,10-dimethyl-, 6,10-dimethyl-2-undecanone, 6,10-dimethylundecan-2-one, hexahydropseudoionone
Esol Class Soluble
Functional Groups CC(C)=O
Compound Name 6,10-Dimethylundecan-2-one
Prediction Hob Swissadme 0.0
Exact Mass 198.198
Formal Charge 0.0
Monoisotopic Mass 198.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 198.34
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.39567
Inchi InChI=1S/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3
Smiles CC(C)CCCC(C)CCCC(=O)C
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Fatty acyls

  • 1. Outgoing r'ship FOUND_IN to/from Bryophyllum Pinnatum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1178182
  • 2. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Ceratophyllum Demersum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588
  • 4. Outgoing r'ship FOUND_IN to/from Cocos Nucifera (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Humulus Lupulus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040407
  • 6. Outgoing r'ship FOUND_IN to/from Nelumbo Lutea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Osteospermum Muricatum (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
  • 10. Outgoing r'ship FOUND_IN to/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748
  • 11. Outgoing r'ship FOUND_IN to/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748
  • 12. Outgoing r'ship FOUND_IN to/from Terminalia Alata (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Terminalia Arjuna (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Terminalia Bellerica (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Terminalia Bellirica (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Terminalia Bialata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Terminalia Brachystemma (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Terminalia Calamansanay (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Terminalia Catappa (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Terminalia Citrina (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Terminalia Coriacea (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Terminalia Crenulata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Terminalia Elliptica (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Terminalia Macroptera (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Terminalia Myriocarpa (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Terminalia Pallida (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Terminalia Procera (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Terminalia Travancorensis (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Torreya Nucifera (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Vallisneria Spiralis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588
Back to Browse   Back to Home