17-Octadecynoic acid
PubChem CID: 1449
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| Compound Synonyms | 17-octadecynoic acid, 34450-18-5, Alkynyl Stearic Acid, Octadec-17-ynoic acid, 17-ODYA, L8WPG7CL86, 17-octadecyn-1-oic acid, CHEBI:142447, DTXSID50188024, MFCD00077382, SR-01000597622, Octadec-17-ynoicacid, Tocris-0607, UNII-L8WPG7CL86, CBiol_001996, BSPBio_001367, KBioGR_000087, KBioSS_000087, SCHEMBL979048, BML3-C04, CHEMBL182310, GTPL8851, KBio2_000087, KBio2_002655, KBio2_005223, KBio3_000173, KBio3_000174, DTXCID80110515, Bio1_000282, Bio1_000771, Bio1_001260, Bio2_000087, Bio2_000567, HMS1361E09, HMS1791E09, HMS1989E09, HMS3402E09, HMS3649J09, 17-ODYA (17-Octadecynoic acid), LMFA01030575, AKOS024458580, 17-Octadecynoic acid, >=95% (GC), IDI1_033837, NCGC00024681-01, NCGC00024681-02, NCGC00024681-03, NCGC00024681-04, BP-23391, MS-23987, PD020539, DB-250248, HY-101016, CS-0020696, NS00096067, F82104, R01-0053, SR-01000597622-1, SR-01000597622-2, Q27070788 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | C#CCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadec-17-ynoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H32O2 |
| Inchi Key | DZIILFGADWDKMF-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | 17-Octadecyn-1-Oic acid, 17-ODYA, 17-Octadecyn-1-Oate, 17-Octadecynoate, 17-octadecynoic acid |
| Esol Class | Moderately soluble |
| Functional Groups | C#CC, CC(=O)O |
| Compound Name | 17-Octadecynoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 280.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20) |
| Smiles | C#CCCCCCCCCCCCCCCCC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Justicia Adhatoda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1260061