(2E,4E)-2-tridecylheptadeca-2,4-dienal
PubChem CID: 21773677
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-2-tridecylheptadeca-2,4-dienal |
| Prediction Hob | 0.0 |
| Xlogp | 13.8 |
| Molecular Formula | C30H56O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UBNBPKYIOQKKCQ-GASNPIGISA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -7.044 |
| Rotatable Bond Count | 25.0 |
| Logd | 5.084 |
| Compound Name | (2E,4E)-2-tridecylheptadeca-2,4-dienal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 432.433 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 432.433 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 432.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -9.567217400000002 |
| Inchi | InChI=1S/C30H56O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-30(29-31)27-25-23-21-19-17-14-12-10-8-6-4-2/h24,26,28-29H,3-23,25,27H2,1-2H3/b26-24+,30-28+ |
| Smiles | CCCCCCCCCCCCC/C(=C\C=C\CCCCCCCCCCCC)/C=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asclepias Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Equisetum Hyemale (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Iva Nevadensis (Plant) Rel Props:Source_db:cmaup_ingredients