(2S)-3-[(1E,5Z)-tetradeca-1,5-dien-3-ynoxy]propane-1,2-diol
PubChem CID: 162990577
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-3-[(1E,5Z)-tetradeca-1,5-dien-3-ynoxy]propane-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C17H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BPDWNJUQPWBHGB-YMYNUENCSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -3.825 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.05 |
| Compound Name | (2S)-3-[(1E,5Z)-tetradeca-1,5-dien-3-ynoxy]propane-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.6686296 |
| Inchi | InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h9-10,13-14,17-19H,2-8,15-16H2,1H3/b10-9-,14-13+/t17-/m0/s1 |
| Smiles | CCCCCCCC/C=C\C#C/C=C/OC[C@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Robusta (Plant) Rel Props:Source_db:cmaup_ingredients