(8R,9S,11Z,14Z)-heptadeca-1,11,14-triene-8,9-diol
PubChem CID: 162980829
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 256.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (8R,9S,11Z,14Z)-heptadeca-1,11,14-triene-8,9-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C17H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PFODYVTXEFDXQP-QXRKNUMISA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -3.525 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.216 |
| Compound Name | (8R,9S,11Z,14Z)-heptadeca-1,11,14-triene-8,9-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.597834999999999 |
| Inchi | InChI=1S/C17H30O2/c1-3-5-7-9-11-13-15-17(19)16(18)14-12-10-8-6-4-2/h4-5,7,11,13,16-19H,2-3,6,8-10,12,14-15H2,1H3/b7-5-,13-11-/t16-,17+/m1/s1 |
| Smiles | CC/C=C\C/C=C\C[C@@H]([C@@H](CCCCCC=C)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalea Elegans (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euonymus Grandiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hymenocallis Arenicola (Plant) Rel Props:Source_db:cmaup_ingredients