8,10-Octadecadiynoic acid
PubChem CID: 5312666
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| Compound Synonyms | 8,10-Octadecadiynoic acid, octadeca-8,10-diynoic acid, LMFA01030536, 8,10-Octadecadiynoate, SCHEMBL5052818, CHEBI:165484 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 369.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadeca-8,10-diynoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 6.6 |
| Molecular Formula | C18H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JRBUVHZXBJFVBZ-UHFFFAOYSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -5.287 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.862 |
| Compound Name | 8,10-Octadecadiynoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 276.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.716654399999999 |
| Inchi | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-7,12-17H2,1H3,(H,19,20) |
| Smiles | CCCCCCCC#CC#CCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acanthophyllum Elatius (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Boronia Coerulescens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Honorius Nutans (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ilex Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Iryanthera Coriacea (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Melochia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Rubia Oncotricha (Plant) Rel Props:Source_db:cmaup_ingredients