methyl (Z)-pentadec-8-enoate
PubChem CID: 5352982
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| Compound Synonyms | methyl (Z)-pentadec-8-enoate, MRBKPSJRLSTYOZ-HJWRWDBZSA-N |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (Z)-pentadec-8-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C16H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MRBKPSJRLSTYOZ-HJWRWDBZSA-N |
| Fcsp3 | 0.8125 |
| Logs | -4.014 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.242 |
| Compound Name | methyl (Z)-pentadec-8-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 254.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.2322668 |
| Inchi | InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h8-9H,3-7,10-15H2,1-2H3/b9-8- |
| Smiles | CCCCCC/C=C\CCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients