Populene C
PubChem CID: 24970696
Connections displayed (default: 10).
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| Compound Synonyms | Populene C, CHEMBL461300, DTXSID801153878, 1035531-17-9, (-)-1,4-Dihydro-1,4,4,6,9-pentamethyl-2H-naphtho[2,1-c]pyran-7,8-dione |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,4,6,9-pentamethyl-1,2-dihydrobenzo[f]isochromene-7,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LKKQCDCZGYUJTA-UHFFFAOYSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -5.387 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.149 |
| Compound Name | Populene C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 284.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.597329571428572 |
| Inchi | InChI=1S/C18H20O3/c1-9-7-13-14(11(3)8-21-18(13,4)5)12-6-10(2)16(19)17(20)15(9)12/h6-7,11H,8H2,1-5H3 |
| Smiles | CC1COC(C2=C1C3=C(C(=C2)C)C(=O)C(=O)C(=C3)C)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thespesia Populnea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all