(-)-Menthyl benzoate
PubChem CID: 93868
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| Compound Synonyms | (-)-Menthyl benzoate, MENTHYL BENZOATE, 71617-14-6, EINECS 228-505-3, 2-(Isopropyl)-5-methylcyclohexyl benzoate, (5-methyl-2-propan-2-ylcyclohexyl) benzoate, NSC 7335, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, benzoate, [1R-(1.alpha.,2.beta.,5.alpha.)]-, 38649-18-2, menthylbenzoat, EINECS 261-374-0, EINECS 275-706-7, SCHEMBL3885473, DTXSID80959486, Benzoic acid, (-)-menthyl ester, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, benzoate, (1R-(1alpha,2beta,5alpha))-, 2-Isopropyl-5-methylcyclohexyl benzoate #, (2-isopropyl-5-methyl-cyclohexyl) benzoate, NS00086184, NS00089764, NS00090760, 5-Methyl-2-(propan-2-yl)cyclohexyl benzoate, 228-505-3 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-methyl-2-propan-2-ylcyclohexyl) benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C17H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TTYVYRHNIVBWCB-UHFFFAOYSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -2.977 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.988 |
| Compound Name | (-)-Menthyl benzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 260.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.989821610526316 |
| Inchi | InChI=1S/C17H24O2/c1-12(2)15-10-9-13(3)11-16(15)19-17(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3 |
| Smiles | CC1CCC(C(C1)OC(=O)C2=CC=CC=C2)C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients