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Cyclohexene

PubChem CID: 8079

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Compound Synonyms CYCLOHEXENE, 110-83-8, Tetrahydrobenzene, Cyclohex-1-ene, Benzene tetrahydride, 1,2,3,4-Tetrahydrobenzene, Benzenetetrahydride, Hexanaphthylene, Cykloheksen, Benzene, tetrahydro-, 1-Cyclohexene, 3,4,5,6-Tetrahydrobenzene, Zyklohexen, Cykloheksen [Polish], NSC 24835, HSDB 1624, EINECS 203-807-8, UNII-12L0P8F7GN, UN2256, BRN 0906737, 12L0P8F7GN, CCRIS 8739, CHEBI:36404, AI3-03146, CYCLOHEXENE [MI], NSC-24835, CYCLOHEXENE [HSDB], UN 2256, DTXSID9038717, EC 203-807-8, 4-05-00-00218 (Beilstein Handbook Reference), perdeutero cyclohexene, CYKLOHEKSEN (POLISH), 25012-94-6, Cyclohexene Solution in Methanol, 100ug/mL, MFCD00001539, cylcohexene, cyclo hexene, cyclo-hexene, cyclohexane N, Cyclohex1ene, 2-cyclohexen, Benzene, tetrahydro, CYCLOHEXENE RING, 1,3,4-Tetrahydrobenzene, WLN: L6UTJ, 1,2,3,4Tetrahydrobenzene, 3,4,5,6Tetrahydrobenzene, Cyclohexene (ACGIH:OSHA), CHEMBL16396, Cyclohexene, analytical standard, DTXCID7018717, NSC24835, MSK3551-100M, STL445673, AKOS000119959, AKOS025243963, 1ST3551-100M, BP-31020, FC145503, Cyclohexene [UN2256] [Flammable liquid], NS00008978, EN300-19682, A802251, Cyclohexene, inhibitor-free, ReagentPlus(R), 99%, Q413328, F0001-0225, Z104474726, Cyclohexene, contains 100 ppm BHT as inhibitor, >=99.0%, 203-807-8
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Np Classifier Class Lactones
Deep Smiles CCCC=CC6
Heavy Atom Count 6.0
Classyfire Class Unsaturated hydrocarbons
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Olefins
Isotope Atom Count 0.0
Molecular Complexity 45.1
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name cyclohexene
Prediction Hob 1.0
Class Unsaturated hydrocarbons
Veber Rule True
Classyfire Superclass Hydrocarbons
Xlogp 2.9
Superclass Hydrocarbons
Subclass Olefins
Gsk 4 400 Rule True
Molecular Formula C6H10
Scaffold Graph Node Bond Level C1=CCCCC1
Prediction Swissadme 0.0
Inchi Key HGCIXCUEYOPUTN-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.6666666666666666
Rotatable Bond Count 0.0
Synonyms 1,2,3,4-Tetrahydrobenzene, 1-Cyclohexene, 3,4,5,6-Tetrahydrobenzene, Benzene tetrahydride, Benzenetetrahydride, Cyclohex-1-ene, Tetrahydrobenzene, Zyklohexen, cyclohexene
Esol Class Soluble
Functional Groups CC=CC
Compound Name Cyclohexene
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 82.0783
Formal Charge 0.0
Monoisotopic Mass 82.0783
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 82.14
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.1511052
Inchi InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
Smiles C1CCC=CC1
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Cycloalkenes
Np Classifier Superclass Fatty esters