(-)-Neomenthol
PubChem CID: 6566020
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| Compound Synonyms | (-)-Neomenthol, 20747-49-3, l-Neomenthol, (1R,3R,4S)-p-Menth-3-ol, (-)-(1R,2R,5S)-Neomenthol, DTXSID00895817, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R-(1alpha,2alpha,5beta))-, Neomenthol, (1R)-(+)-neomenthol, (1R,2R,5S)-2-Isopropyl-5-methylcyclohexanol, (1R,2R,5S)-Menthol, SCHEMBL4918891, NOOLISFMXDJSKH-IVZWLZJFSA-N, DTXCID201023473, NCGC00248905-02, rel-(1R,2R,5S)-2-Isopropyl-5-methylcyclohexan-1-ol, (1R,2R,5S)-2-ISOPROPYL-5-METHYLCYCLOHEXAN-1-OL, Cyclohexanol,5-methyl-2-(1-methylethyl)-,(1r-(1alpha,2alpha,5beta))-, 624-350-4 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 120.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Is Pains | False |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOOLISFMXDJSKH-IVZWLZJFSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (-)-Neomenthol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8848678000000003 |
| Inchi | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m0/s1 |
| Smiles | C[C@H]1CC[C@@H]([C@@H](C1)O)C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients