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1-Eicosene

PubChem CID: 18936

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Compound Synonyms 1-EICOSENE, Icos-1-ene, 3452-07-1, Eicosene, Cetyl ethylene, 1-Icosene, .alpha.-Eicosene, alpha-Eicosene, Methylene nonadecane, Neodene 20, 27400-78-8, 6BHH7ZD637, NSC 77138, NSC-77138, NEODENE C 20, UNII-6BHH7ZD637, DTXSID1029257, EINECS 222-374-6, AI3-36496, EC 222-374-6, Arachidene, Arachydene, MFCD00009013, cosen, Alkenes, C20-24 alpha-, 1-eicosadecene, 1-icosadecene, Eicos-1-ene, ., A.-Eicosene, 52439-84-6, 1-Eicosene, tech grade, 1-Eicosene, technical grade, DTXCID609257, 1-Eicosene, analytical standard, CHEBI:198481, NSC77138, 1-Eicosene, technical grade, 80%, EINECS 300-202-1, LMFA11000314, AKOS015913014, AS-75616, DB-048635, CS-0204584, E0005, E0774, NS00008143, D90564, EC 300-202-1, Q2419305, 222-374-6, 27323-11-1
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 CCCCCCCCCCCCCCCCCCC=C
Heavy Atom Count 20.0
Classyfire Class Unsaturated hydrocarbons
Classyfire Subclass Unsaturated aliphatic hydrocarbons
Isotope Atom Count 0.0
Molecular Complexity 171.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name icos-1-ene
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Hydrocarbons
Xlogp 11.1
Gsk 4 400 Rule False
Molecular Formula C20H40
Prediction Swissadme 0.0
Inchi Key VAMFXQBUQXONLZ-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.9
Logs -7.287
Rotatable Bond Count 17.0
Logd 4.661
Synonyms 1-eicosene, arachidene, eicos-1-ene, eicosene, eicosene*
Esol Class Poorly soluble
Functional Groups C=CC
Compound Name 1-Eicosene
Prediction Hob Swissadme 0.0
Exact Mass 280.313
Formal Charge 0.0
Monoisotopic Mass 280.313
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 280.5
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 -7.462947999999999
Inchi InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3
Smiles CCCCCCCCCCCCCCCCCCC=C
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Fatty acyls

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