7-Octenoic acid
PubChem CID: 543977
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| Compound Synonyms | 7-Octenoic acid, oct-7-enoic acid, 18719-24-9, UMY8YV4JPR, MFCD02258724, C8:1n-1, UNII-UMY8YV4JPR, DTXSID30337674, oct-7-enoicacid, 7-Octenoic acid, 97%, SCHEMBL481539, DTXCID60288761, CHEBI:180307, LMFA01030576, AKOS006280748, DS-8614, DA-08876, SY240016, CS-0147251, I11997, EN300-1588859, 686-909-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | C=CCCCCCC=O)O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oct-7-enoic acid |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H14O2 |
| Inchi Key | OZYYQTRHHXLTKX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 7-octenoic acid |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CC(=O)O |
| Compound Name | 7-Octenoic acid |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| 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/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2H,1,3-7H2,(H,9,10) |
| Smiles | C=CCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700625