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Ethylcyclohexane

PubChem CID: 15504

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Compound Synonyms ETHYLCYCLOHEXANE, 1678-91-7, Cyclohexane, ethyl-, cyclohexylethane, NSC 8880, EINECS 216-835-0, DTXSID1051779, UNII-567IJI1215, SWACLEAN ECH, AI3-15348, NSC-8880, 567IJI1215, DTXCID4030334, Ethyl cyclohexane, 1-ETHYL-CYCLOHEXANECARBALDEHYDE, ethyl-cyclohexane, MFCD00001523, Ethylcyclohexane, >=99%, WLN: L6TJ A2, QSPL 100, CHEMBL1882821, NSC8880, CHEBI:137775, Tox21_303745, LMFA11000659, AKOS015906531, NCGC00166032-01, NCGC00357050-01, LS-13496, CAS-1678-91-7, E0073, NS00019408, A810916, Q21024279, InChI=1/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H, 216-835-0
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 Hydrocarbons
Deep Smiles CCCCCCCC6
Heavy Atom Count 8.0
Classyfire Class Saturated hydrocarbons
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Cycloalkanes
Isotope Atom Count 0.0
Molecular Complexity 51.1
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q9UBT6
Iupac Name ethylcyclohexane
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Hydrocarbons
Xlogp 4.0
Gsk 4 400 Rule True
Molecular Formula C8H16
Scaffold Graph Node Bond Level C1CCCCC1
Prediction Swissadme 0.0
Inchi Key IIEWJVIFRVWJOD-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs -4.234
Rotatable Bond Count 1.0
Logd 3.696
Synonyms cyclohexane, ethyl, ethyl cyclohexane, ethylcyclohexane
Esol Class Soluble
Compound Name Ethylcyclohexane
Prediction Hob Swissadme 0.0
Exact Mass 112.125
Formal Charge 0.0
Monoisotopic Mass 112.125
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 112.21
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 -3.3425392
Inchi InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3
Smiles CCC1CCCCC1
Nring 1.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Fatty acyls

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  • 2. Outgoing r'ship FOUND_IN to/from Alpinia Galanga (Plant) Rel Props:Reference:
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  • 4. Outgoing r'ship FOUND_IN to/from Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975
  • 5. Outgoing r'ship FOUND_IN to/from Crataegus Cuneata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Crataegus Davisii (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Crataegus Maximowiczii (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Crataegus Monogyna (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Crataegus Oxyacantha (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Crataegus Pontica (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Crataegus Rhipidophylla (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Crataegus Sanguinea (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Crataegus Sinaica (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Crataegus Songarica (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Crataegus Tanacetifolia (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Dictamnus Albus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699823
  • 18. Outgoing r'ship FOUND_IN to/from Juglans Regia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1477
  • 19. Outgoing r'ship FOUND_IN to/from Kaempferia Angustifolia (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Kaempferia Marginata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Kaempferia Pandurata (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Kaempferia Pulchra (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Kaempferia Rotunda (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Kaempferia Roturela (Plant) Rel Props:Reference:
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