[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enyl] acetate
PubChem CID: 163011647
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| Topological Polar Surface Area | 44.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MAJDJPBTEFXTOH-AWEZNQCLSA-N |
| Fcsp3 | 0.4375 |
| Logs | -3.768 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.099 |
| Compound Name | [(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enyl] acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 278.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 278.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6096575999999994 |
| Inchi | InChI=1S/C16H22O4/c1-6-14(20-12(4)17)13-7-8-15(16(9-13)18-5)19-10-11(2)3/h6-9,11,14H,1,10H2,2-5H3/t14-/m0/s1 |
| Smiles | CC(C)COC1=C(C=C(C=C1)[C@H](C=C)OC(=O)C)OC |
| Nring | 1.0 |
| 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