Menthoglycol
PubChem CID: 19100
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| Compound Synonyms | Menthoglycol, 3564-98-5, trans-p-Menthane-3,8-diol, (1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol, Isopulegol hydrate, (-)-3,8-p-Menthanediol, PMD38, 91739-72-9, (1R,3R,4R)-p-menthane-3,8-diol, p-MENTHANE-3,8-DIOL, cis-1,3,trans-1,4-, AAL436QJ5W, 1beta,3beta,4alpha-p-menthane-3,8-diol, EB999AF32A, (+/-)-trans-p-Menthane-3,8-diol, (1R,2R,5R)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol, (1R,3R,4R)-2-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol, Cyclohexanemethanol, 2-hydroxy-.alpha.,.alpha.,4-trimethyl-, (1R,2R,4R)-, 8-hydroxymenthol, ( inverted exclamation markA)-p-Menthane-3,8-trans-diol, (1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexanol, rel-(1R,2R,4R)-2-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol, (+-)-Isopulegol hydrate, UNII-AAL436QJ5W, EPA Pesticide Chemical Code 011550, UNII-EB999AF32A, rel-(1R,2R,4R)-2-Hydroxy-?,?,4-trimethylcyclohexanemethanol, (+/-)-Isopulegol Hydrate, Menthoglycol [WHO-DD], trans-2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, 1,4-menthane-3,8-diol, Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1-alpha,2-beta,4-beta)-, SCHEMBL80732, GTPL2472, Cyclohexanemethanol, 2-hydroxy-.alpha.,.alpha.,4-trimethyl-, (1R,2R,4E)-, DTXSID5035084, CHEBI:16053, MENTHOGLYCOL, (+/-)-, DTXSID801033610, (+/-)-ISOPULEGOL HYDRATE, Cyclohexanemethanol, 2-hydroxy-.alpha.,.alpha.,4-trimethyl-, (1-.alpha.,2-.beta.,4-.beta.)-, Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1R,2R,4R)-, AKOS037646772, Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1R,2R,4E)-rel-, 3,8-P-MENTHANEDIOL, (-)-, HY-W436777, LMPR0102090063, AS-70737, 1beta,3beta,4alpha--p-menthane-3,8-diol, 1beta,3beta,4alpha-para-menthane-3,8-diol, CS-0543232, NS00115909, p-Menthane-3,8-diol (cis-1,3,trans-1,4), C02904, Q27088421, 2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexan-1-ol, (1R,2R,4R)-2-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol, cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1R,2R, 4E)-rel, CYCLOHEXANEMETHANOL, 2-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, (1R,2R,4R)-REL-, cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1- alpha,2-beta,4-beta), CYCLOHEXANEMETHANOL, 2-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, (1.ALPHA.,2.BETA.,4.BETA.)-, CYCLOHEXANEMETHANOL, 2-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, (1R-(1.ALPHA.,2.BETA.,4.BETA.))- |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C10H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LMXFTMYMHGYJEI-IWSPIJDZSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.999 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.026 |
| Compound Name | Menthoglycol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2091616 |
| Inchi | InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acicarpha Tribuloides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aconitum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aconitum Tianschanicum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aniba Rosaeodora (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ariocarpus Fissuratus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Bidens Tripartita (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Bursera Simaruba (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Callistemon Speciosus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Carpesium Faberi (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Centaurea Arbutifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Centaurea Musimomum (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Cephalaria Leucantha (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Chlamydomonas Allensworthii (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Cissus Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Codonopsis Cordifolioidea (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Coleus Wulfenioides (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Corydalis Sewerzowi (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Dahlstedtia Pentaphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Delphinium Denudatum (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Diplacus Aurantiacus (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Ericameria Laricifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Eupatorium Rebaudianum (Plant) Rel Props:Source_db:cmaup_ingredients - 24. Outgoing r'ship
FOUND_INto/from Flemingia Philippinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 25. Outgoing r'ship
FOUND_INto/from Genista Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 26. Outgoing r'ship
FOUND_INto/from Gomphostemma Parviflorum (Plant) Rel Props:Source_db:cmaup_ingredients - 27. Outgoing r'ship
FOUND_INto/from Hippobroma Longiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 28. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 29. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients - 30. Outgoing r'ship
FOUND_INto/from Loranthus Longiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 31. Outgoing r'ship
FOUND_INto/from Mentha Incana (Plant) Rel Props:Source_db:cmaup_ingredients - 32. Outgoing r'ship
FOUND_INto/from Onoseris Alata (Plant) Rel Props:Source_db:cmaup_ingredients - 33. Outgoing r'ship
FOUND_INto/from Ormosia Fordiana (Plant) Rel Props:Source_db:cmaup_ingredients - 34. Outgoing r'ship
FOUND_INto/from Piper Acutifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 35. Outgoing r'ship
FOUND_INto/from Podocarpus Elatus (Plant) Rel Props:Source_db:cmaup_ingredients - 36. Outgoing r'ship
FOUND_INto/from Polanisia Trachysperma (Plant) Rel Props:Source_db:cmaup_ingredients - 37. Outgoing r'ship
FOUND_INto/from Polygala Senega (Plant) Rel Props:Source_db:cmaup_ingredients - 38. Outgoing r'ship
FOUND_INto/from Psilotum Nudum (Plant) Rel Props:Source_db:cmaup_ingredients - 39. Outgoing r'ship
FOUND_INto/from Senecio Zoellneri (Plant) Rel Props:Source_db:cmaup_ingredients - 40. Outgoing r'ship
FOUND_INto/from Solanum Boerhaavii (Plant) Rel Props:Source_db:cmaup_ingredients - 41. Outgoing r'ship
FOUND_INto/from Solanum Diflorum (Plant) Rel Props:Source_db:cmaup_ingredients - 42. Outgoing r'ship
FOUND_INto/from Staehelina Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients - 43. Outgoing r'ship
FOUND_INto/from Trapa Bicornis (Plant) Rel Props:Source_db:cmaup_ingredients - 44. Outgoing r'ship
FOUND_INto/from Vachellia Karroo (Plant) Rel Props:Source_db:cmaup_ingredients - 45. Outgoing r'ship
FOUND_INto/from Vallaris Heynei (Plant) Rel Props:Source_db:cmaup_ingredients - 46. Outgoing r'ship
FOUND_INto/from Vellozia Streptophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 47. Outgoing r'ship
FOUND_INto/from Xyris Indica (Plant) Rel Props:Source_db:cmaup_ingredients