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COCONUT Compound

1-PENTENE

CNP0529271.0 · C5H10 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name1-PENTENE
IUPAC Namepent-1-ene
COCONUT IDCNP0529271.0
CAS109-67-1, 68814-91-5, 25587-78-4
InChIKeyYWAKXRMUMFPDSH-UHFFFAOYSA-N
InChIInChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
SMILESC=CCCC

Properties

Molecular FormulaC5H10
Molecular Weight70.13
Exact Mass70.07825
Log P (ALogP)1.97
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.44
NP-likeness1.00

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 (4)

  1. 10.1016/0031-9422(85)80062-5
  2. 10.1016/J.RENENE.2017.12.012
  3. 10.1016/S0031-9422(00)00308-3
  4. 10.1016/S0031-9422(00)80640-8

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.