(7Z)-hexadecenoate
PubChem CID: 77134721
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| Compound Synonyms | (7Z)-hexadecenoate, (7Z)-hexadec-7-enoate, (7Z)-hexadecenoic acid, CHEBI:82730, 16:1n-9(1-), Q27156256 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-hexadec-7-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C16H29O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | PJHOFUXBXJNUAC-KTKRTIGZSA-M |
| Fcsp3 | 0.8125 |
| Logs | -6.91 |
| Rotatable Bond Count | 12.0 |
| Logd | 5.002 |
| Compound Name | (7Z)-hexadecenoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 253.217 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 253.217 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 253.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.3600172 |
| Inchi | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/p-1/b10-9- |
| Smiles | CCCCCCCC/C=C\CCCCCC(=O)[O-] |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients