Trans-pulegol
PubChem CID: 12314755
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | trans-Pulegol, Pulegol, trans-, 4BX94KX4V5, p-Menth-4(8)-en-3-ol, UNII-4BX94KX4V5, Cyclohexanol, 5-methyl-2-(1-methylethylidene)-, trans-, Rel-(1R,5S)-5-methyl-2-(1-methylethylidene)cyclohexanol, 18649-91-7, Cyclohexanol, 5-methyl-2-(1-methylethylidene)-, (1R,5S)-rel-, (1R,5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Is Pains | False |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JGVWYJDASSSGEK-WCBMZHEXSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Trans-pulegol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3272686 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8,10-11H,4-6H2,1-3H3/t8-,10+/m0/s1 |
| Smiles | C[C@H]1CCC(=C(C)C)[C@@H](C1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients