3,7,11,15-Tetramethyl-2-hexadecene
PubChem CID: 5366161
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| Compound Synonyms | Phytene-2, 3,7,11,15-tetramethyl-2-hexadecene, 2-Hexadecene, 3,7,11,15-tetramethyl-, 2437-93-6, trans-phyt-2-ene, XZJQZWIDAHFTHV-CNHKJKLMSA-N, DTXSID001020835, (2E)-3,7,11,15-Tetramethyl-2-hexadecene #, 2-Hexadecene, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3,7,11,15-tetramethylhexadec-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 9.4 |
| Molecular Formula | C20H40 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XZJQZWIDAHFTHV-CNHKJKLMSA-N |
| Fcsp3 | 0.9 |
| Logs | -7.145 |
| Rotatable Bond Count | 12.0 |
| Logd | 6.586 |
| Compound Name | 3,7,11,15-Tetramethyl-2-hexadecene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.313 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 280.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.734547999999999 |
| Inchi | InChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,8-16H2,1-6H3/b18-7+ |
| Smiles | C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients