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COCONUT Compound

1-DECENE

CNP0330037.0 · C10H20 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name1-DECENE
IUPAC Namedec-1-ene
COCONUT IDCNP0330037.0
CAS872-05-9, 68037-01-4, 25189-70-2, 37309-58-3, 672-05-9, 14638-82-5
InChIKeyAFFLGGQVNFXPEV-UHFFFAOYSA-N
InChIInChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3
SMILESC=CCCCCCCCC

Properties

Molecular FormulaC10H20
Molecular Weight140.27
Exact Mass140.15650
Log P (ALogP)3.92
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds7
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.37
NP-likeness1.02

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
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (10)

  1. 10.1002/CBDV.201800531
  2. 10.1016/J.ARABJC.2012.04.042
  3. 10.1016/J.RENENE.2017.12.012
  4. 10.1016/j.arabjc.2012.04.042
  5. 10.1021/JF00120A031
  6. 10.1021/JF60200A011
  7. 10.1021/NP010148B
  8. 10.1021/NP50046A035
  9. 10.1021/jf00120a031
  10. 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.