1,3,6,10-Dodecatetraene
PubChem CID: 22236753
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| Compound Synonyms | 1,3,6,10-Dodecatetraene |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | C/C=C/CC/C=C/C/C=C/C=C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,6E,10E)-dodeca-1,3,6,10-tetraene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C12H18 |
| Inchi Key | ATGMONWNTWAVCU-SJZBDCFKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 1,3,6,10-dodecatetraene |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, C=C/C=C/C |
| Compound Name | 1,3,6,10-Dodecatetraene |
| Exact Mass | 162.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 162.27 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-7,11-12H,1,8-10H2,2H3/b6-4+,7-5+,12-11+ |
| Smiles | C/C=C/CC/C=C/C/C=C/C=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Polycarpos (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1427637