(5E)-cyclopentadec-5-en-1-one
PubChem CID: 11183661
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL2197364 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5E)-cyclopentadec-5-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RSLTVQQROJUNCD-FNORWQNLSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.502 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.008 |
| Compound Name | (5E)-cyclopentadec-5-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.3813064 |
| Inchi | InChI=1S/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h5,7H,1-4,6,8-14H2/b7-5+ |
| Smiles | C1CCCC/C=C/CCCC(=O)CCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Veratrum Album (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Veratrum Californicum (Plant) Rel Props:Source_db:cmaup_ingredients