3,7,11,15-Tetramethylhexadecyl acetate
PubChem CID: 545558
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| Compound Synonyms | 3,7,11,15-Tetramethylhexadecyl acetate, SCHEMBL215965, Acetic acid, 3,7,11,15-tetramethyl-hexadecyl ester, QSEOJZDSLREMLU-UHFFFAOYSA-N, 3,7,11,15-Tetramethylhexadecyl acetate # |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 298.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,11,15-tetramethylhexadecyl acetate |
| Prediction Hob | 0.0 |
| Xlogp | 9.1 |
| Molecular Formula | C22H44O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QSEOJZDSLREMLU-UHFFFAOYSA-N |
| Fcsp3 | 0.9545454545454546 |
| Logs | -7.007 |
| Rotatable Bond Count | 16.0 |
| Logd | 6.276 |
| Compound Name | 3,7,11,15-Tetramethylhexadecyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 340.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.8869704 |
| Inchi | InChI=1S/C22H44O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h18-21H,7-17H2,1-6H3 |
| Smiles | CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients