10-Hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one
PubChem CID: 11368417
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 287.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VQLQYAMTNKORFK-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.849 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.908 |
| Compound Name | 10-Hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0327001999999994 |
| Inchi | InChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,10,13,17H,1,7-9,11H2,2-5H3 |
| Smiles | CC(CCCC(C)(C=C)O)CC(=O)C=C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Source_db:cmaup_ingredients