2,4,6,8-Tetramethylundecanoic acid
PubChem CID: 5321893
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| Compound Synonyms | 2,4,6,8-tetramethylundecanoic acid, SCHEMBL5799197, 2490-32-6 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,6,8-tetramethylundecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C15H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SUSUUYRANZVDHR-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -4.731 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.359 |
| Compound Name | 2,4,6,8-Tetramethylundecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3650986 |
| Inchi | InChI=1S/C15H30O2/c1-6-7-11(2)8-12(3)9-13(4)10-14(5)15(16)17/h11-14H,6-10H2,1-5H3,(H,16,17) |
| Smiles | CCCC(C)CC(C)CC(C)CC(C)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients