(9E)-3,10-dimethyl-6-methylidene-7,8-dihydrocyclodeca[b]furan-4,11-dione
PubChem CID: 102279302
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| Topological Polar Surface Area | 47.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9E)-3,10-dimethyl-6-methylidene-7,8-dihydrocyclodeca[b]furan-4,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KELZYRMOEAISJM-UXBLZVDNSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.68 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.615 |
| Compound Name | (9E)-3,10-dimethyl-6-methylidene-7,8-dihydrocyclodeca[b]furan-4,11-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3241535555555553 |
| Inchi | InChI=1S/C15H16O3/c1-9-5-4-6-10(2)14(17)15-13(12(16)7-9)11(3)8-18-15/h6,8H,1,4-5,7H2,2-3H3/b10-6+ |
| Smiles | C/C/1=C\CCC(=C)CC(=O)C2=C(C1=O)OC=C2C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chloranthus Serratus (Plant) Rel Props:Source_db:cmaup_ingredients