(-)-Menthyl propionate
PubChem CID: 221455
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| Compound Synonyms | l-Menthyl propionate, 4951-48-8, Menthol, propionate, (-)-, Mentyl propionate, (-)-Menthyl propionate, NSC 6042, EINECS 225-596-1, [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanoate, DTXSID90884119, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1R,2S,5R)-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-propanoate, (1R,2S,5R)-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1R-(1alpha,2beta,5alpha))-, EINECS 289-130-9, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1theta-(1alpha,2beta,5alpha))-, CHEMBL2236866, SCHEMBL10171231, PELLUIPPBKHUAB-GRYCIOLGSA-, NSC6042, PELLUIPPBKHUAB-GRYCIOLGSA-N, DTXCID801023588, NSC-6042, PropionsA currencyure-l-menthylester, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, [1R-(1.alpha.,2.beta.,5.alpha.)]-, NS00045000, (1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL PROPIONATE, Cyclohexanol, propanoate, [1R-(1.alpha.,2.beta.,5.alpha.)]-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1R-(1alpha,2beta,5alpha))-(9CI), 225-596-1, InChI=1/C13H24O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | PELLUIPPBKHUAB-GRYCIOLGSA-N |
| Fcsp3 | 0.9230769230769232 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | (-)-Menthyl propionate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 212.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.33 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanoate |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.708564599999999 |
| Inchi | InChI=1S/C13H24O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1 |
| Smiles | CCC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C |
| Xlogp | 4.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C13H24O2 |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Amomum Longiligulare (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Amomum Xanthioides (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Ligusticum Jeholense (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Ligusticum Tenuissimum (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 24. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuisfolia (Plant) Rel Props:Source_db:cmaup_ingredients - 25. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients - 26. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients - 27. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients - 28. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 29. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients