2,4,6-Octatriene, 2,6-dimethyl-, (4Z,6Z)-
PubChem CID: 5317469
Connections displayed (default: 10).
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| Compound Synonyms | cis-alloocimene, (Z,Z)-Alloocimene, Allocimene, 4Z,6Z-, Alloocimene, (4Z,6Z)-, G1G39GGK9Y, 2,4,6-Octatriene, 2,6-dimethyl-, (4Z,6Z)-, (4Z,6Z)-alloocimene, 17202-20-9, (4E,6Z)-2,6-dimethylocta-2,4,6-triene, UNII-G1G39GGK9Y, GQVMHMFBVWSSPF-BHJHHZOLSA-, GQVMHMFBVWSSPF-BHJHHZOLSA-N, 2,6-dimethyl-octa-2,4cis,6cis-triene, (4Z,6z)-2,6-dimethyl-2,4,6-octatriene, Q27278577, InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6-,10-5- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 164.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4Z,6Z)-2,6-dimethylocta-2,4,6-triene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GQVMHMFBVWSSPF-BHJHHZOLSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.011 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.691 |
| Compound Name | 2,4,6-Octatriene, 2,6-dimethyl-, (4Z,6Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.1986756 |
| Inchi | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6-,10-5- |
| Smiles | C/C=C(/C)\C=C/C=C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients