(Z)-5-Tetradecen-14-olide
PubChem CID: 21187406
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| Compound Synonyms | Oxacyclopentadec-6-en-2-one, (Z)-, SCHEMBL6119350 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCCCCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | O=CCCC/C=C/CCCCCCCCO%15 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Macrolides and analogues |
| Scaffold Graph Node Level | OC1CCCCCCCCCCCCCO1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E)-1-oxacyclopentadec-6-en-2-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H24O2 |
| Scaffold Graph Node Bond Level | O=C1CCCC=CCCCCCCCCO1 |
| Inchi Key | USYAGNRXEGBFEX-GQCTYLIASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | (z)-5-tetradecen-14-olide |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, COC(C)=O |
| Compound Name | (Z)-5-Tetradecen-14-olide |
| Exact Mass | 224.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 224.34 |
| Gi Absorption | True |
| 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/C14H24O2/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-14/h4,6H,1-3,5,7-13H2/b6-4+ |
| Smiles | C1CCCCOC(=O)CCC/C=C/CCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Moschatus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279