(2S)-3-[(1Z,5Z)-trideca-1,5-dien-3-ynoxy]propane-1,2-diol
PubChem CID: 21591333
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-3-[(1Z,5Z)-trideca-1,5-dien-3-ynoxy]propane-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 3.9 |
| Molecular Formula | C16H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GTUVAFBOEGIOIW-BJQMMIFBSA-N |
| Fcsp3 | 0.625 |
| Logs | -3.395 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.711 |
| Compound Name | (2S)-3-[(1Z,5Z)-trideca-1,5-dien-3-ynoxy]propane-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.3074622 |
| Inchi | InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17/h8-9,12-13,16-18H,2-7,14-15H2,1H3/b9-8-,13-12-/t16-/m0/s1 |
| Smiles | CCCCCCC/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