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1-Hexene

PubChem CID: 11597

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Compound Synonyms 1-HEXENE, Hex-1-ene, 592-41-6, Hexene, Hexene-1, 1-n-Hexene, Butylethylene, Hexylene, Butyl ethylene, Dialene 6, n-Hexene, Linealene 6, Hexene, 1-, NSC 74121, HSDB 1079, EINECS 209-753-1, UNII-B38ZZ8C206, DTXSID4025402, CHEBI:24579, AI3-28797, B38ZZ8C206, NSC-74121, DTXCID105402, EC 209-753-1, 1-Hexene, 97%, alpha-hexene, 26746-82-7, C6, Alkenes, C6-7 alpha-, Alkenes, C6-9 alpha-, UN2370, hexacarbene, 5-hexenyl, 5-hexene, EINECS 271-244-5, EINECS 272-188-4, Neodene 6 XHP, MFCD00009505, .ALPHA.-HEXENE, 1-HEXENE [HSDB], 1-Hexene, >=99%, 1-Hexene, 98.5%, 1(OR 2)-HEXENE, 2(OR 3)-HEXENE, 1-Hexene, analytical standard, CHEMBL1548726, DTXSID201318600, NSC74121, Tox21_200723, STL453688, AKOS009031382, 1-C6H12, UN 2370, 1-Hexene, purum, >=96.0% (GC), NCGC00091703-01, NCGC00091703-02, NCGC00258277-01, CAS-592-41-6, 1-Hexene [UN2370] [Flammable liquid], DB-053346, H0121, NS00006752, S0336, A832221, Q161637, InChI=1/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H, 16183-00-9, 209-753-1, 542-41-6
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 CCCCC=C
Heavy Atom Count 6.0
Classyfire Class Unsaturated hydrocarbons
Classyfire Subclass Unsaturated aliphatic hydrocarbons
Isotope Atom Count 0.0
Molecular Complexity 29.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P16473, P00352, P04150
Iupac Name hex-1-ene
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Hydrocarbons
Target Id NPT210, NPT94
Xlogp 3.4
Gsk 4 400 Rule True
Molecular Formula C6H12
Prediction Swissadme 0.0
Inchi Key LIKMAJRDDDTEIG-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.6666666666666666
Logs -3.264
Rotatable Bond Count 3.0
Logd 3.094
Synonyms 1-hexene, hex-1-ene
Esol Class Soluble
Functional Groups C=CC
Compound Name 1-Hexene
Prediction Hob Swissadme 0.0
Exact Mass 84.0939
Formal Charge 0.0
Monoisotopic Mass 84.0939
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 84.16
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 -2.2995044
Inchi InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
Smiles CCCCC=C
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Fatty acyls

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Aulacocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Anemone Flaccida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Ardisia Neriifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Aspidosperma Subincanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Cryptocarya Aschersoniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Eupatorium Argentinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Fragaria Ananassa (Plant) Rel Props:Source_db:npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Guatteria Boliviana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Juniperus Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Peritassa Compta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Psiadia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Rheedia Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698383
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