1,12-Tridecadiene
PubChem CID: 30874
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| Compound Synonyms | 1,12-TRIDECADIENE, trideca-1,12-diene, 21964-48-7, tridecadiene-1,12, DTXSID20176372, DTXCID8098863, CHEBI:151033, AKOS006325203, NS00096186 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | C=CCCCCCCCCCC=C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trideca-1,12-diene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 6.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H24 |
| Inchi Key | BPHFKBMQSYYNGQ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 1,12-tridecadiene |
| Esol Class | Moderately soluble |
| Functional Groups | C=CC |
| Compound Name | 1,12-Tridecadiene |
| Exact Mass | 180.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 180.33 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4H,1-2,5-13H2 |
| Smiles | C=CCCCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1321504