3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one
PubChem CID: 10888228
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RDAVHQFPWURCTN-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.629 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.89 |
| Compound Name | 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9795656 |
| Inchi | InChI=1S/C10H10O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h4,6H,7H2,1-2H3 |
| Smiles | CC(=CC#CC1=CC(=O)OC1)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eupatorium Azureum (Plant) Rel Props:Source_db:cmaup_ingredients