(3E,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one
PubChem CID: 21672087
Connections displayed (default: 10).
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| Topological Polar Surface Area | 43.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 450.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.4 |
| Molecular Formula | C21H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HAETXMBDLLFIOV-GDZIOOATSA-N |
| Fcsp3 | 0.3809523809523809 |
| Logs | -4.828 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.217 |
| Compound Name | (3E,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.895336533333333 |
| Inchi | InChI=1S/C21H26O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,14-16H,3-4,6-8,13H2,1-2H3/b17-5+,18-14- |
| Smiles | C/C(=C/C(=O)C/C(=C/CCC1=COC=C1)/C)/CCCC2=COC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Populus Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients