3-Tridecene, (3Z)-
PubChem CID: 5362711
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| Compound Synonyms | cis-3-Tridecene, 3-Tridecene, (Z)-, 3-Tridecene, (Z), 3-Tridecene, (3Z)-, (Z)-3-Tridecene, (3Z)-3-Tridecene, UNII-7RY0E2S0NR, 7RY0E2S0NR, 41446-53-1, .GAMMA.-CIS-TRIDECENE, DTXSID40880767, GAMMA-CIS-TRIDECENE, DTXCID401022126, NS00096310, Q27268770 |
|---|---|
| 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 | CCCCCCCCC/C=CCC |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-tridec-3-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 6.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H26 |
| Inchi Key | OMBXNSHDJUALCV-ALCCZGGFSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | (z)-3-tridecene |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC |
| Compound Name | 3-Tridecene, (3Z)- |
| Exact Mass | 182.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 182.35 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5,7H,3-4,6,8-13H2,1-2H3/b7-5- |
| Smiles | CCCCCCCCC/C=C\CC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Spilanthes Acmella (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698952