Hexadec-2-enoic acid
PubChem CID: 152802
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| Compound Synonyms | hexadec-2-enoic acid, DTXSID001347916, hexadecaenoic acid, ZVRMGCSSSYZGSM-UHFFFAOYSA-N, AKOS028110148, PD118471, DB-054346 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| 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 | hexadec-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 7.0 |
| Molecular Formula | C16H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVRMGCSSSYZGSM-UHFFFAOYSA-N |
| Fcsp3 | 0.8125 |
| Logs | -0.885 |
| Rotatable Bond Count | 13.0 |
| Logd | 1.274 |
| Compound Name | Hexadec-2-enoic acid |
| 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 | -4.9693667999999995 |
| Inchi | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18) |
| Smiles | CCCCCCCCCCCCCC=CC(=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients