9-Octadecyne
PubChem CID: 141998
Connections displayed (default: 10).
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| Compound Synonyms | octadec-9-yne, 9-Octadecyne, 35365-59-4, DTXSID60188853, 9-Octadecyne (7CI, 9CI, ACI), Octadecan-9-yne, DTXCID20111344, DB-360120, NS00096047, G71399 |
|---|---|
| Ghose Rule | False |
| 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#CCCCCCCCC |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Acetylenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadec-9-yne |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H34 |
| Inchi Key | NKRBWIXXEQOWRY-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | 9- octadecyne, 9-octadecyne |
| Esol Class | Poorly soluble |
| Functional Groups | CC#CC |
| Compound Name | 9-Octadecyne |
| Exact Mass | 250.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 250.5 |
| 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/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
| Smiles | CCCCCCCCC#CCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Cryptomeria Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699267 - 2. Outgoing r'ship
FOUND_INto/from Eryngium Caeruleum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895186 - 3. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965