Cyclohexanol, 5-methyl-2-propyl, cis, cis (n-Neoisomenthol)
PubChem CID: 1859535
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| Compound Synonyms | VWXNPISBYOISDJ-KXUCPTDWSA-N, Cyclohexanol, 5-methyl-2-propyl, cis, cis (n-Neoisomenthol) |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2S,5R)-5-methyl-2-propylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VWXNPISBYOISDJ-KXUCPTDWSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.891 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.698 |
| Compound Name | Cyclohexanol, 5-methyl-2-propyl, cis, cis (n-Neoisomenthol) |
| 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 |
| Esol | -2.6424678 |
| Inchi | InChI=1S/C10H20O/c1-3-4-9-6-5-8(2)7-10(9)11/h8-11H,3-7H2,1-2H3/t8-,9+,10-/m1/s1 |
| Smiles | CCC[C@H]1CC[C@H](C[C@H]1O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients