Triacontan-15-ol
PubChem CID: 5322011
Connections displayed (default: 10).
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| Compound Synonyms | triacontan-15-ol, 16-Triacontanol, 31849-26-0, SCHEMBL10436445, DTXSID40415790, HJVOENAQNMQNCN-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | triacontan-15-ol |
| Prediction Hob | 0.0 |
| Xlogp | 14.6 |
| Molecular Formula | C30H62O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HJVOENAQNMQNCN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.549 |
| Rotatable Bond Count | 27.0 |
| Logd | 5.044 |
| Compound Name | Triacontan-15-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 438.48 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.48 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 438.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.957815000000002 |
| Inchi | InChI=1S/C30H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Trifolium Repens (Plant) Rel Props:Source_db:cmaup_ingredients