2,6-Dimethylocta-2,4,6-triene
PubChem CID: 12658
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| Compound Synonyms | 2,6-Dimethyl-2,4,6-octatriene, 2,6-Dimethylocta-2,4,6-triene, (e,z)-alloocimene, DTXSID4027288, (E,E)-2,6-Dimethylocta-2,4,6-triene, (4E,6Z)-2,6-Dimethyl-2,4,6-octatriene, (4E,6Z)-2,6-dimethylocta-2,4,6-triene, GQVMHMFBVWSSPF-UHFFFAOYSA-N, 2,6-Dimethyl-2,4,6-octatriene, 80%, FD179609, NS00079762, NS00081189, Q27162288 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | GQVMHMFBVWSSPF-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | (Z)-Alloocimene |
| Heavy Atom Count | 10.0 |
| Compound Name | 2,6-Dimethylocta-2,4,6-triene |
| Description | 2,6-dimethyl-2,4,6-octatriene, also known as alloocimene, (e,z)-isomer or allo-ocimene, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. 2,6-dimethyl-2,4,6-octatriene can be found in parsnip, sweet basil, and tarragon, which makes 2,6-dimethyl-2,4,6-octatriene a potential biomarker for the consumption of these food products. 2,6-dimethyl-2,4,6-octatriene can be found primarily in saliva. |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 164.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylocta-2,4,6-triene |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3 |
| Smiles | CC=C(C)C=CC=C(C)C |
| Xlogp | 4.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H16 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Source_db:fooddb_chem_all