(3E,7Z)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene
PubChem CID: 13941492
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| Compound Synonyms | (3E,7Z)-4,8,12-TRIMETHYLTRIDECA-1,3,7,11-TETRAENE, (e,e)-4,8,12-trimethyl-1,3,7,11-tridecatetraene, 4,8,12-trimethyltrideca-1,3,7,11-tetraene, CHEBI:176704, (3E,7Z)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | CWLVBFJCJXHUCF-ZAYWLTRMSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene, 4,8,12-trimethyl-1,3,7,11-tridecatetraene, 4,8,12-Trimethyl-1,3E,7E,11-tridecatetraene, 4,8,12-trimethyltrideca-1,3,7,11-tetraene, TMTT |
| Heavy Atom Count | 16.0 |
| Compound Name | (3E,7Z)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene |
| Description | Constituent of essential oil of Elettaria cardamomum (cardamom). (3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene is found in cardamom, herbs and spices, and garden tomato (variety). |
| Exact Mass | 218.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.203 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 218.38 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,7Z)-4,8,12-trimethyltrideca-1,3,7,11-tetraene |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13- |
| Smiles | CC(=CCC/C(=C\CC/C(=C/C=C)/C)/C)C |
| Xlogp | 6.4 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C16H26 |
- 1. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all