1,6-Cyclodecadiene
PubChem CID: 5365639
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| Compound Synonyms | 1,6-Cyclodecadiene, (1Z,6Z)-cyclodeca-1,6-diene, 1124-79-4, cis,cis-1,6-Cyclodecadiene, (1Z,6Z)-1,6-Cyclodecadiene, cis,cis-Cyclodeca-1,6-diene, GWCMUONZBWHLRN-REXUQAFDSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CC/C=CCCC/C=CC%10 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCCCCCC1 |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1Z,6Z)-cyclodeca-1,6-diene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C1=CCCCC=CCCC1 |
| Inchi Key | GWCMUONZBWHLRN-REXUQAFDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,6-cyclodecadiene |
| Esol Class | Soluble |
| Functional Groups | C/C=CC |
| Compound Name | 1,6-Cyclodecadiene |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16/c1-2-4-6-8-10-9-7-5-3-1/h1-2,9-10H,3-8H2/b2-1-,10-9- |
| Smiles | C1C/C=C\CCC/C=C\C1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.831562