Z-3-Hexadecen-7-yne
PubChem CID: 5362886
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| Compound Synonyms | Z-3-Hexadecen-7-yne, (3E)-3-Hexadecen-7-yne #, KKYRQKLPCNUOOY-FNORWQNLSA-N |
|---|---|
| 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#CCC/C=C/CC |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Enynes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hexadec-3-en-7-yne |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 6.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H28 |
| Inchi Key | KKYRQKLPCNUOOY-FNORWQNLSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | z-3-hexadecen-7-yne |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, CC#CC |
| Compound Name | Z-3-Hexadecen-7-yne |
| Exact Mass | 220.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 220.39 |
| 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/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-12,14,16H2,1-2H3/b7-5+ |
| Smiles | CCCCCCCCC#CCC/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 Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840