Sterculynic acid
PubChem CID: 12443009
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| Compound Synonyms | sterculynic acid, 8,9-methyleneoctadec-8-en-17-ynoic acid, 7-(2-non-8-yn-1-ylcycloprop-1-en-1-yl)heptanoic acid, CHEBI:26757, 9,10-Mt 9c17a-18:2, 9,10-methylene-octadec-9-en-17-ynoic acid, 2-(8-nonynyl)-1-cyclopropene-1-heptanoic acid, 7-(2-non-8-ynylcyclopropen-1-yl)heptanoic acid, LMFA01140016, 8,9-methyleneoctadeca-8-en-17-ynoic acid, Q27109915 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC1 |
| Deep Smiles | C#CCCCCCCCC=CC3)CCCCCCC=O)O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Scaffold Graph Node Level | C1CC1 |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(2-non-8-ynylcyclopropen-1-yl)heptanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H30O2 |
| Scaffold Graph Node Bond Level | C1=CC1 |
| Inchi Key | CUWBJXSLCSBCIA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | 8,9-methyleneoctadec-8-en-17-ynoic acid |
| Esol Class | Moderately soluble |
| Functional Groups | C#CC, CC(=O)O, CC1=C(C)C1 |
| Compound Name | Sterculynic acid |
| Exact Mass | 290.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 290.4 |
| Gi Absorption | True |
| 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/C19H30O2/c1-2-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21/h1H,3-16H2,(H,20,21) |
| Smiles | C#CCCCCCCCC1=C(C1)CCCCCCC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Pterygota Alata (Plant) Rel Props:Reference:ISBN:9788185042053