4-[(2E)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
PubChem CID: 5317258
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 57.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 631.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(2E)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C23H26O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HUIKFGYKROOMLM-LZYBPNLTSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -5.574 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.354 |
| Compound Name | 4-[(2E)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 382.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.382998628571429 |
| Inchi | InChI=1S/C23H26O5/c1-5-25-17(12-15(2)3)13-16(4)8-10-27-23-18-6-7-22(24)28-21(18)14-20-19(23)9-11-26-20/h6-9,11-12,14,17H,5,10,13H2,1-4H3/b16-8+ |
| Smiles | CCOC(C/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C=C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients