[(E)-3-[3-methoxy-4-[(1Z)-3-methylbuta-1,3-dienoxy]phenyl]prop-2-enyl] acetate
PubChem CID: 10850890
Connections displayed (default: 10).
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| Topological Polar Surface Area | 44.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-3-[3-methoxy-4-[(1Z)-3-methylbuta-1,3-dienoxy]phenyl]prop-2-enyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AGOGNHHFRNXYEU-BTHQEHEQSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.819 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.21 |
| Compound Name | [(E)-3-[3-methoxy-4-[(1Z)-3-methylbuta-1,3-dienoxy]phenyl]prop-2-enyl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.7996551714285713 |
| Inchi | InChI=1S/C17H20O4/c1-13(2)9-11-21-16-8-7-15(12-17(16)19-4)6-5-10-20-14(3)18/h5-9,11-12H,1,10H2,2-4H3/b6-5+,11-9- |
| Smiles | CC(=C)/C=C\OC1=C(C=C(C=C1)/C=C/COC(=O)C)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Scabrida (Plant) Rel Props:Source_db:cmaup_ingredients