3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran
PubChem CID: 5317317
Connections displayed (default: 10).
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| Topological Polar Surface Area | 13.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran |
| Prediction Hob | 0.0 |
| Xlogp | 4.7 |
| Molecular Formula | C15H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YSEAISJCEBJBPG-SNAWJCMRSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -6.076 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.612 |
| Compound Name | 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 214.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.316459600000001 |
| Inchi | InChI=1S/C15H18O/c1-4-5-6-7-13-9-15-14(8-11(13)2)12(3)10-16-15/h4-5,8-10H,6-7H2,1-3H3/b5-4+ |
| Smiles | C/C=C/CCC1=CC2=C(C=C1C)C(=CO2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Farfugium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients