3-[(1E)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
PubChem CID: 10986587
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| Compound Synonyms | 81053-16-9, (E)-4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 266.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(1E)-4-methylpenta-1,3-dienyl]-2H-furan-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C10H12O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WTMZLLJMAPNMPS-HWKANZROSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.833 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.034 |
| Compound Name | 3-[(1E)-4-methylpenta-1,3-dienyl]-2H-furan-5-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 164.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.0175647999999997 |
| Inchi | InChI=1S/C10H12O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h3-6H,7H2,1-2H3/b5-3+ |
| Smiles | CC(=C/C=C/C1=CC(=O)OC1)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eupatorium Azureum (Plant) Rel Props:Source_db:cmaup_ingredients