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COCONUT Compound

1-NONENE

CNP0317850.0 · C9H18 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name1-NONENE
IUPAC Namenon-1-ene
COCONUT IDCNP0317850.0
CAS124-11-8, 68855-57-2, 31387-92-5
InChIKeyJRZJOMJEPLMPRA-UHFFFAOYSA-N
InChIInChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
SMILESC=CCCCCCCC

Properties

Molecular FormulaC9H18
Molecular Weight126.24
Exact Mass126.14085
Log P (ALogP)3.53
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds6
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.38
NP-likeness1.13

Classification

NP PathwayFatty acids
NP SuperclassFatty acyls
NP ClassHydrocarbons
Chemical SuperclassHydrocarbons
Chemical ClassUnsaturated hydrocarbons
Chemical SubclassOlefins

Reported in GR-MAPs Plants

Oryza sativa as “Oryza sativa” in COCONUT

References (7)

  1. 10.1002/CBDV.201800531
  2. 10.1016/J.RENENE.2017.12.012
  3. 10.1021/JF00120A031
  4. 10.1021/jf00120a031
  5. 10.1055/S-0028-1097637
  6. 10.1080/10412905.1993.9698276
  7. 10.1248/YAKUSHI1947.112.8_571

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.