3,13-Octadecadien-1-ol
PubChem CID: 543438
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| Compound Synonyms | MFCD30545150, 3,13-octadecadien-1-ol, MFCD00798068, SY347288, SY347289 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadeca-3,13-dien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C18H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QBNCGBJHGBGHLS-UHFFFAOYSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -6.302 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.245 |
| Compound Name | 3,13-Octadecadien-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 266.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.902507799999998 |
| Inchi | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,15-16,19H,2-4,7-14,17-18H2,1H3 |
| Smiles | CCCCC=CCCCCCCCCC=CCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients