[2-[(4-Methylfuran-2-yl)methylidene]-6-methylideneoct-7-enyl] acetate
PubChem CID: 73083974
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| Topological Polar Surface Area | 39.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-[(4-methylfuran-2-yl)methylidene]-6-methylideneoct-7-enyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C17H22O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FEZGASWANGXKMU-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -3.632 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.614 |
| Compound Name | [2-[(4-Methylfuran-2-yl)methylidene]-6-methylideneoct-7-enyl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 274.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.231631999999999 |
| Inchi | InChI=1S/C17H22O3/c1-5-13(2)7-6-8-16(12-19-15(4)18)10-17-9-14(3)11-20-17/h5,9-11H,1-2,6-8,12H2,3-4H3 |
| Smiles | CC1=COC(=C1)C=C(CCCC(=C)C=C)COC(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aralia Taibaiensis (Plant) Rel Props:Source_db:cmaup_ingredients