Lauroleic Acid
PubChem CID: 5312381
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| Compound Synonyms | lauroleic acid, 9Z-dodecenoic acid, (Z)-dodec-9-enoic acid, JPV97OJL1C, Fema No. 4917, 9-Dodecenoic acid, (Z)-, 9-Dodecenoic acid, (9Z)-, cis-9-dodecenoic acid, (Z)-9-dodecenoic acid, UNII-JPV97OJL1C, 9Z-Dodecensaeure, 22032-47-9, Dodec-9c-ensaeure, dodec-9c-enoic acid, cis-dodec-9-enoic acid, C12:1n-3, (9Z)-dodec-9-enoic acid, C12:1, n-3 cis, 12:1, n-3 cis, CHEBI:38377, Fatty Acid 12:1 n-3, SCHEMBL371618, FKLSONDBCYHMOQ-ARJAWSKDSA-N, LMFA01030229, Q27117675 |
|---|---|
| Ghose Rule | True |
| 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 | CC/C=CCCCCCCCC=O)O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-dodec-9-enoic acid |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22O2 |
| Inchi Key | FKLSONDBCYHMOQ-ARJAWSKDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | lauroleic acid |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CC(=O)O |
| Compound Name | Lauroleic Acid |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| 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/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-4H,2,5-11H2,1H3,(H,13,14)/b4-3- |
| Smiles | CC/C=C\CCCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Melastoma Malabathricum (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362461