(E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enal
PubChem CID: 10016741
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 378.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C19H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YWNQFCZEMBRJOS-WUSSVBECSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -5.222 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.333 |
| Compound Name | (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 284.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.524902371428572 |
| Inchi | InChI=1S/C19H24O2/c1-16(2)6-4-7-17(3)13-15-21-19-11-9-18(10-12-19)8-5-14-20/h5-6,8-14H,4,7,15H2,1-3H3/b8-5+,17-13+ |
| Smiles | CC(=CCC/C(=C/COC1=CC=C(C=C1)/C=C/C=O)/C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Scabrida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nymphaea Caerulea (Plant) Rel Props:Source_db:cmaup_ingredients