1-(2,2-Dimethyl-6-prop-1-en-2-ylchromen-8-yl)-3-methylbutan-1-one
PubChem CID: 162850295
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 444.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,2-dimethyl-6-prop-1-en-2-ylchromen-8-yl)-3-methylbutan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C19H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AQEMCWFSACYYGU-UHFFFAOYSA-N |
| Fcsp3 | 0.4210526315789473 |
| Logs | -4.972 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.364 |
| Compound Name | 1-(2,2-Dimethyl-6-prop-1-en-2-ylchromen-8-yl)-3-methylbutan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 284.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.820402371428572 |
| Inchi | InChI=1S/C19H24O2/c1-12(2)9-17(20)16-11-15(13(3)4)10-14-7-8-19(5,6)21-18(14)16/h7-8,10-12H,3,9H2,1-2,4-6H3 |
| Smiles | CC(C)CC(=O)C1=CC(=CC2=C1OC(C=C2)(C)C)C(=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gerbera Piloselloides (Plant) Rel Props:Source_db:cmaup_ingredients