(E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene
PubChem CID: 5365895
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| Compound Synonyms | (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene, 70901-63-2, (6E,10E)-7,11,15-trimethyl-3-methylidenehexadeca-1,6,10,14-tetraene, beta-Springene, CHEBI:192745, XSIVJVJUIXOEPW-YTOAGJIJSA-N, DTXSID101016459, (e,e)-7,11,15-trimethyl-3-methylenehexadeca-1,6,10,14-tetraene, 3-METHYLENE-7,11,15-TRIMETHYL-1,6,10,14-HEXADECATETRAENE, (6E,10E)-7,11,15-Trimethyl-3-methylene-1,6,10,14-hexadecatetraene, (6E,10E)-7,11,15-Trimethyl-3-methylene-1,6,10,14-hexadecatetraene #, (6E,10E)-7,11,15-Trimethyl-3-methylene-1,6,10,14-hexadecatetrene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E,10E)-7,11,15-trimethyl-3-methylidenehexadeca-1,6,10,14-tetraene |
| Prediction Hob | 1.0 |
| Xlogp | 8.0 |
| Molecular Formula | C20H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XSIVJVJUIXOEPW-YTOAGJIJSA-N |
| Fcsp3 | 0.5 |
| Logs | -6.644 |
| Rotatable Bond Count | 10.0 |
| Logd | 5.301 |
| Compound Name | (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene |
| 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 | 2.0 |
| Esol | -5.8337512 |
| Inchi | InChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,1,4,8-10,12-13,16H2,2-3,5-6H3/b19-15+,20-14+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CCC(=C)C=C)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicerbita Alpina (Plant) Rel Props:Source_db:cmaup_ingredients