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1-Octadecene

PubChem CID: 8217

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Compound Synonyms 1-OCTADECENE, 112-88-9, Octadec-1-ene, OCTADECENE, alpha-Octadecene, .alpha.-Octadecene, Octadecene-1, Octadecylene alpha-, UNII-H5ZUQ6V4AK, H5ZUQ6V4AK, alpha-octadecylene, 27070-58-2, DTXSID3026932, CHEBI:30824, EINECS 204-012-9, NSC 66460, NSC-66460, OCTADECENE, 1-, AI3-06521, DTXCID106932, EC 204-012-9, 1-Octadecene, analytical standard, 1-octadecen, octadeca-1-ene, Neodene 18, EINECS 248-205-6, MFCD00009003, Octadecylene .alpha.-, Octadecylene, .alpha.-, EC 248-205-6, CHEMBL3187417, NSC66460, Tox21_202739, 1-Octadecene, >=95.0% (GC), LMFA11000325, 1-Octadecene, technical grade, 90%, AKOS015904365, 1-Octadecene, technical, ~85% (GC), 1-octadecene [standard material for gc], NCGC00260287-01, BS-42192, CAS-112-88-9, FO171298, DB-041130, NS00006856, O0008, S0348, F71291, Q10859725, 204-012-9
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Hydrocarbons
Deep Smiles CCCCCCCCCCCCCCCCC=C
Heavy Atom Count 18.0
Classyfire Class Unsaturated hydrocarbons
Classyfire Subclass Unsaturated aliphatic hydrocarbons
Isotope Atom Count 0.0
Molecular Complexity 148.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name octadec-1-ene
Prediction Hob 1.0
Veber Rule False
Classyfire Superclass Hydrocarbons
Xlogp 10.0
Gsk 4 400 Rule False
Molecular Formula C18H36
Prediction Swissadme 0.0
Inchi Key CCCMONHAUSKTEQ-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.8888888888888888
Logs -7.126
Rotatable Bond Count 15.0
Logd 4.565
Synonyms 1-octadecene, 1octadecene, octadec-1-ene, octadecene
Esol Class Poorly soluble
Functional Groups C=CC
Compound Name 1-Octadecene
Prediction Hob Swissadme 0.0
Exact Mass 252.282
Formal Charge 0.0
Monoisotopic Mass 252.282
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 252.5
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -6.734313199999998
Inchi InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
Smiles CCCCCCCCCCCCCCCCC=C
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Fatty acyls