(E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene
PubChem CID: 5365883
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| Compound Synonyms | alpha-springene, (E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene, (3E,6E,10E)-3,7,11,15-Tetramethyl-1,3,6,10,14-hexadecapentaene, Alpha Springene, .alpha.-Springene, (E,E,E)-alpha-springene, (E,E,E)- .alpha.-Springene, CHEBI:192746, KFHRKQVLZRJWNB-OBHWEXPVSA-N, 77898-97-6, (E,E,E)-3,7,11,15-TETRAMETHYL HEXADECA-1,3,6,10,14-PENTAENE |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene |
| Prediction Hob | 1.0 |
| Xlogp | 8.0 |
| Molecular Formula | C20H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFHRKQVLZRJWNB-OBHWEXPVSA-N |
| Fcsp3 | 0.5 |
| Logs | -6.221 |
| Rotatable Bond Count | 9.0 |
| Logd | 5.107 |
| Compound Name | (E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 272.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.962751199999999 |
| Inchi | InChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11-12,14-15H,1,8-10,13,16H2,2-6H3/b18-12+,19-15+,20-14+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/C/C=C(\C)/C=C)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients