(2Z,9Z)-pentadeca-2,9-dien-4,6-diyn-1-ol
PubChem CID: 14841162
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| Compound Synonyms | CHEMBL1086905 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,9Z)-pentadeca-2,9-dien-4,6-diyn-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C15H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | LQTQHFYCEDKVEJ-ZBXVJARNSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -3.73 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.205 |
| Compound Name | (2Z,9Z)-pentadeca-2,9-dien-4,6-diyn-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 216.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 216.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.4312088000000003 |
| Inchi | InChI=1S/C15H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,13-14,16H,2-5,8,15H2,1H3/b7-6-,14-13- |
| Smiles | CCCCC/C=C\CC#CC#C/C=C\CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Longiradiatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all