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 |
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FOUND_INto/from Angelica Officinalis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Anthocephalus Chinensis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Aralia Chinensis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Artemisia Chinensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Arundina Chinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Asparagus Officinalis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
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FOUND_INto/from Boraga Officinalis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Borago Officinalis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Breonia Chinensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Breynia Officinalis (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Buddleja Officinalis (Plant) Rel Props:Reference: - 32. Outgoing r'ship
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FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Cochlearia Officinalis (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Coptis Chinensis (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Cornus Officinalis (Plant) Rel Props:Reference: - 41. Outgoing r'ship
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FOUND_INto/from Cubela Officinalis (Plant) Rel Props:Reference: - 43. Outgoing r'ship
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FOUND_INto/from Desmos Chinensis (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Dianthus Chinensis (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Dicliptera Chinensis (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Elsholtzia Bodinieri (Plant) Rel Props:Reference: - 48. Outgoing r'ship
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FOUND_INto/from Euodia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 50. Outgoing r'ship
FOUND_INto/from Euodia Fraxinifolia (Plant) Rel Props:Reference: - 51. Outgoing r'ship
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FOUND_INto/from Euodia Ruticarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 54. Outgoing r'ship
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FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Reference: - 83. Outgoing r'ship
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FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Reference: - 105. Outgoing r'ship
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