Z-8-Methyl-9-tetradecenoic acid
PubChem CID: 5364410
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| Compound Synonyms | Z-8-Methyl-9-tetradecenoic acid, (Z)-8-Methyl-9-tetradecenoic acid, QCLNEWABNXOXBO-FLIBITNWSA-N, DTXSID201016226, (9Z)-8-Methyl-9-tetradecenoic acid #, 457653-87-1 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-8-methyltetradec-9-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C15H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QCLNEWABNXOXBO-FLIBITNWSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.577 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.232 |
| Compound Name | Z-8-Methyl-9-tetradecenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 240.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.025299399999999 |
| Inchi | InChI=1S/C15H28O2/c1-3-4-5-8-11-14(2)12-9-6-7-10-13-15(16)17/h8,11,14H,3-7,9-10,12-13H2,1-2H3,(H,16,17)/b11-8- |
| Smiles | CCCC/C=C\C(C)CCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients