(1R,5R)-5-hydroxy-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
PubChem CID: 131080776
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,5R)-5-hydroxy-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DOSSOWWECQMMRD-DTWKUNHWSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.632 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.863 |
| Compound Name | (1R,5R)-5-hydroxy-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3714631999999998 |
| Inchi | InChI=1S/C10H16O2/c1-7-5-10(2,3)8(6-11)4-9(7)12/h5-6,8-9,12H,4H2,1-3H3/t8-,9+/m0/s1 |
| Smiles | CC1=CC([C@@H](C[C@H]1O)C=O)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Haspan (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Goniothalamus Thwaitesii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Salvinia Imbricata (Plant) Rel Props:Source_db:cmaup_ingredients