4-Tetradecenoic acid
PubChem CID: 5282739
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| Compound Synonyms | 4-tetradecenoic acid, (E)-tetradec-4-enoic acid, 544-65-0, (4E)-tetradec-4-enoic acid, SCHEMBL371563, SCHEMBL905917, LMFA01030048 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-tetradec-4-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C14H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUVLOCDGQCUQSI-ZHACJKMWSA-N |
| Fcsp3 | 0.7857142857142857 |
| Logs | -4.061 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.913 |
| Compound Name | 4-Tetradecenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.7510824000000005 |
| Inchi | InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-11H,2-9,12-13H2,1H3,(H,15,16)/b11-10+ |
| Smiles | CCCCCCCCC/C=C/CCC(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients