3-[11-(Furan-3-yl)-4,8-dimethylundeca-3,7-dienyl]furan
PubChem CID: 74051397
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 383.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[11-(furan-3-yl)-4,8-dimethylundeca-3,7-dienyl]furan |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C21H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CXOKEXPLOGZXRM-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -5.477 |
| Rotatable Bond Count | 10.0 |
| Logd | 5.494 |
| Compound Name | 3-[11-(Furan-3-yl)-4,8-dimethylundeca-3,7-dienyl]furan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.546547730434782 |
| Inchi | InChI=1S/C21H28O2/c1-18(8-4-10-20-12-14-22-16-20)6-3-7-19(2)9-5-11-21-13-15-23-17-21/h6,9,12-17H,3-5,7-8,10-11H2,1-2H3 |
| Smiles | CC(=CCCC(=CCCC1=COC=C1)C)CCCC2=COC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Populus Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients