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(+)-Isomenthone

PubChem CID: 70962

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Compound Synonyms (+)-Isomenthone, 1196-31-2, D-isomenthone, Isomenthone, (+)-, (2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-one, (2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one, 3S2W18YHP6, CHEBI:36492, (1R,4R)-Isomenthone, ISOMENTHONE, D-, EINECS 214-813-5, (1R,4R)-p-menthan-3-one, DTXSID7044475, DTXSID001015953, (1R,4R)-P-MENTH-3-ONE, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-, (2R,5R)-2-isopropyl-5-methylcyclohexanone, (2R,5R)-2-Isopropyl-5-methylcyclohexan-1-one, rel-(2R,5R)-2-Isopropyl-5-methylcyclohexanone, (2R,5R)-5-methyl-2-(propan-2-yl)cyclohexanone, (2R-cis)-5-methyl-2-(1-methylethyl)cyclohexanone, (+/-)-Isomenthone (Contains ~20% of trans-isomer), 491-07-6, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-, (+)-Isomenthone, (2R,5R)-2-Isopropyl-5-methyl-cyclohexanone, p-Menthan-3-one, (1S,4S)-(-)-, REL-ISOMENTHONE, (+)-Isomenthone 100 microg/mL in Acetonitrile, (2R,5R)-isomenthone, Isomenthone, (1S,4S)-, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-cis)-, UNII-3S2W18YHP6, (1r)-cis-p-menthan-3-one, (1S)-cis-p-menthan-3-one, SCHEMBL650578, CHEMBL2272092, DTXCID5024475, DTXCID70196606, HY-N7259, Tox21_301991, AKOS026744127, LMPR0102090044, NCGC00255860-01, CAS-491-07-6, DA-68974, MS-22875, CS-0110878, NS00095807, EN300-170724, G14239, 2-Isopropyl-5-methylcyclohexanone-, (2S-cis)-, Q27104366, rel-(2R,5R)-5-Methyl-2-(1-methylethyl)cyclohexanone, Z1513594359, 214-813-5, 948-247-1
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 11.0
Isotope Atom Count 0.0
Molecular Complexity 149.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C10H18O
Prediction Swissadme 0.0
Inchi Key NFLGAXVYCFJBMK-RKDXNWHRSA-N
Fcsp3 0.9
Logs -2.38
Rotatable Bond Count 1.0
Logd 2.79
Compound Name (+)-Isomenthone
Prediction Hob Swissadme 0.0
Exact Mass 154.136
Formal Charge 0.0
Monoisotopic Mass 154.136
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 154.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -2.6518686000000002
Inchi InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
Smiles C[C@@H]1CC[C@@H](C(=O)C1)C(C)C
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Breonia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Campylotropis Hirtella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Ceropegia Dichotoma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Crinum Moorei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Crotalaria Candicans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Dendrobium Loddigesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Distephanus Angulifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Eria Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Eucalyptus Apodophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Eucalyptus Globulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Glycosmis Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Gypsophila Perfoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Hypericum Polyanthemum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Juniperus Drupacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Mentha Cardiaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Ononis Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Pentaclethra Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Periploca Sepium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Plectranthus Myrianthus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Pterocaulon Virgatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Rhodiola Semenovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Salvia Sessei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Sonneratia Caseolaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Stephania Zippeliana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Tristania Conferta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Vernonia Cistifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Veronica Polita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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