This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Ethyl octadec-9-enoate

PubChem CID: 8123

Connections displayed (default: 10).
Loading graph...

Compound Synonyms ethyl octadec-9-enoate, DTXSID8047634, Ethyl 9-octadecenoate, 6512-99-8, Ethyl octadec-9-enoic acid, DTXCID6027634, DB-053799
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Wax monoesters
Deep Smiles CCCCCCCCC=CCCCCCCCC=O)OCC
Heavy Atom Count 22.0
Classyfire Class Fatty acyls
Classyfire Subclass Fatty acid esters
Isotope Atom Count 0.0
Molecular Complexity 258.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name ethyl octadec-9-enoate
Prediction Hob 0.0
Class Fatty Acyls
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 8.0
Superclass Lipids and lipid-like molecules
Subclass Fatty acid esters
Gsk 4 400 Rule False
Molecular Formula C20H38O2
Prediction Swissadme 0.0
Inchi Key LVGKNOAMLMIIKO-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.85
Logs -6.816
Rotatable Bond Count 17.0
Logd 4.67
Synonyms Ethyl octadec-9-enoic acid, ethyl octadec-9-enoate
Esol Class Moderately soluble
Functional Groups CC=CC, COC(C)=O
Compound Name Ethyl octadec-9-enoate
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 310.287
Formal Charge 0.0
Monoisotopic Mass 310.287
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 310.5
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -5.7021364
Inchi InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3
Smiles CCCCCCCCC=CCCCCCCCC(=O)OCC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent Fatty acid esters
Np Classifier Superclass Fatty esters