(+-)-Neoisomenthol
PubChem CID: 1715097
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| Compound Synonyms | (-)-Neoisomenthol, dl-Neoisomenthol, 64282-88-8, (+-)-Neoisomenthol, Neoisomenthol, (-)-, 1SNM7D2SFV, (1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol, EINECS 207-724-8, UNII-1SNM7D2SFV, 1JE64OEH7Y, all-cis-2-Isopropyl-5-methylcyclohexanol, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5S)-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S-(1alpha,2alpha,5alpha))-, AC1LVZOS, 491-02-1, 89-78-1, UNII-1JE64OEH7Y, NEOISOMENTHOL, (+/-)-, (A+/-)-neoisomenthol, SCHEMBL5186165, DTXSID20364934, NOOLISFMXDJSKH-GUBZILKMSA-N, (1S,2S,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol, CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1S-(1.ALPHA.,2.ALPHA.,5.ALPHA.))- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Isolated from geranium bourbon oil (Pelargonium roseum). (-)-Neoisomenthol is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 120.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOOLISFMXDJSKH-GUBZILKMSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.232 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.661 |
| Synonyms | (-)-Neoisomenthol, (±)-Neoisomenthol, all-cis-2-Isopropyl-5-methylcyclohexanol, cis-1,3,cis-1,4-menthol, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2a,5a)-, DL-Neoisomenthol, Isoneomenthol, rel-(1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol |
| Compound Name | (+-)-Neoisomenthol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| 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 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| 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 |
| Nring | 10.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all