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COCONUT Compound

NONADECANE

CNP0355992.0 · C19H40 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameNONADECANE
IUPAC Namenonadecane
COCONUT IDCNP0355992.0
CAS629-92-5
InChIKeyLQERIDTXQFOHKA-UHFFFAOYSA-N
InChIInChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
SMILESCCCCCCCCCCCCCCCCCCC

Properties

Molecular FormulaC19H40
Molecular Weight268.53
Exact Mass268.31300
Log P (ALogP)7.66
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds16
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.25
NP-likeness0.13

Classification

NP PathwayFatty acids
NP SuperclassFatty acyls
NP ClassHydrocarbons
Chemical SuperclassHydrocarbons
Chemical ClassSaturated hydrocarbons
Chemical SubclassAlkanes

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia Annua; Artemisia annua L.cultivar Jwarharti” in COCONUT
Plantago ovata as “Plantago ovata” in COCONUT
Tanacetum cinerariifolium as “Tanacetum cinerariifolium” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Cestrum nocturnum as “Cestrum nocturnum” in COCONUT

References (68)

  1. 10.1002/(SICI)1099-1026(199901/02)14:1<15::AID-FFJ777>3.0.CO;2-M
  2. 10.1002/(SICI)1099-1573(199906)13:4<329::AID-PTR458>3.0.CO;2-U
  3. 10.1002/FFJ.1547
  4. 10.1002/FFJ.2730070108
  5. 10.1002/JSFA.2740640408
  6. 10.1007/S11418-007-0175-2
  7. 10.1007/s10600-009-9209-1
  8. 10.1016/0031-9422(90)83036-Z
  9. 10.1016/0031-9422(91)84185-U
  10. 10.1016/0031-9422(92)80160-G
  11. 10.1016/0031-9422(96)00241-5
  12. 10.1016/J.BSE.2016.02.030
  13. 10.1016/J.CHROMA.2014.10.058
  14. 10.1016/J.FOODCHEM.2004.05.018
  15. 10.1016/J.FOODCHEM.2012.09.111
  16. 10.1016/J.FOODCHEM.2016.04.071
  17. 10.1016/J.JPBA.2009.01.038
  18. 10.1016/J.RENENE.2017.12.012
  19. 10.1016/S0031-9422(00)81427-2
  20. 10.1016/S0031-9422(00)85772-6
  21. 10.1016/S0031-9422(00)88097-8
  22. 10.1016/S0031-9422(00)94756-3
  23. 10.1016/S0031-9422(00)94990-2
  24. 10.1016/S0031-9422(82)85033-4
  25. 10.1016/S0031-9422(96)00559-6
  26. 10.1016/S0031-9422(97)00943-6
  27. 10.1016/S0305-1978(02)00076-5
  28. 10.1016/S0378-8741(01)00274-4
  29. 10.1016/j.foodchem.2004.05.018
  30. 10.1021/BK-2002-0803.CH009
  31. 10.1021/JF00034A033
  32. 10.1021/JF60224A025
  33. 10.1021/JF960625+
  34. 10.1021/JF960927B
  35. 10.1021/NP000159P
  36. 10.1021/NP50008A001
  37. 10.1021/NP800631T
  38. 10.1021/NP970146K
  39. 10.1021/jf960625+
  40. 10.1039/JR9630000677

Showing 40 of 68. See all references on COCONUT.

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.