(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaenal
PubChem CID: 10128841
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1240.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaenal |
| Prediction Hob | 0.0 |
| Xlogp | 14.2 |
| Molecular Formula | C40H52O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FPLASDSFNINBIY-GLXXQTDRSA-N |
| Fcsp3 | 0.275 |
| Logs | -4.423 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.14 |
| Compound Name | (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 548.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 548.402 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 548.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 13.0 |
| Esol | -11.158101000000002 |
| Inchi | InChI=1S/C40H52O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-20,22-32H,12,21H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,30-17+,34-19+,35-20+,36-24-,37-25+,38-26+,39-29+,40-31+ |
| Smiles | CC(=CCC/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C=O)\C)\C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 13.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cornus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Solanum Dulcamara (Plant) Rel Props:Source_db:cmaup_ingredients