2-methoxy-1-(2-methylpropoxy)-4-[(1S)-1-(2-methylpropoxy)prop-2-enyl]benzene
PubChem CID: 163014964
Connections displayed (default: 10).
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| Topological Polar Surface Area | 27.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-methoxy-1-(2-methylpropoxy)-4-[(1S)-1-(2-methylpropoxy)prop-2-enyl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C18H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IWUPZPJBWFXWOI-INIZCTEOSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -1.467 |
| Rotatable Bond Count | 9.0 |
| Logd | -0.277 |
| Compound Name | 2-methoxy-1-(2-methylpropoxy)-4-[(1S)-1-(2-methylpropoxy)prop-2-enyl]benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4330263714285705 |
| Inchi | InChI=1S/C18H28O3/c1-7-16(20-11-13(2)3)15-8-9-17(18(10-15)19-6)21-12-14(4)5/h7-10,13-14,16H,1,11-12H2,2-6H3/t16-/m0/s1 |
| Smiles | CC(C)COC1=C(C=C(C=C1)[C@H](C=C)OCC(C)C)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Obscura (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tamarix Ramosissima (Plant) Rel Props:Source_db:cmaup_ingredients