3,7,11-Trimethyl-dodeca-2,4,6,10-tetraenal
PubChem CID: 5365928
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | apo-12-lycopenal, 3,7,11-Trimethyl-dodeca-2,4,6,10-tetraenal, SCHEMBL4116056, XXDVGEYVTWJVBB-KYPPLYASSA-N, (2E,4E,6E)-3,7,11-Trimethyl-2,4,6,10-dodecatetraenal # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenal |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XXDVGEYVTWJVBB-KYPPLYASSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.818 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.94 |
| Compound Name | 3,7,11-Trimethyl-dodeca-2,4,6,10-tetraenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.9099079999999997 |
| Inchi | InChI=1S/C15H22O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h6-7,9-12H,5,8H2,1-4H3/b10-6+,14-9+,15-11+ |
| Smiles | CC(=CCC/C(=C/C=C/C(=C/C=O)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients