(2E,4E)-6-Hydroxy-2,6-dimethylhepta-2,4-dienal
PubChem CID: 6429083
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| Compound Synonyms | (2E,4E)-6-Hydroxy-2,6-dimethylhepta-2,4-dienal, VMRUOMPSDZHKQS-HLQBBKRNSA-N |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-6-hydroxy-2,6-dimethylhepta-2,4-dienal |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C9H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VMRUOMPSDZHKQS-HLQBBKRNSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -3.165 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.729 |
| Compound Name | (2E,4E)-6-Hydroxy-2,6-dimethylhepta-2,4-dienal |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 154.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -1.1713958 |
| Inchi | InChI=1S/C9H14O2/c1-8(7-10)5-4-6-9(2,3)11/h4-7,11H,1-3H3/b6-4+,8-5+ |
| Smiles | C/C(=C\C=C\C(C)(C)O)/C=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Oxyphylla (Plant) Rel Props:Source_db:cmaup_ingredients