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COCONUT Compound

Tetradecane

CNP0293304.0 · C14H30 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameTetradecane
IUPAC Nametetradecane
COCONUT IDCNP0293304.0
CAS629-59-4, 90622-46-1, 74664-93-0
InChIKeyBGHCVCJVXZWKCC-UHFFFAOYSA-N
InChIInChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
SMILESCCCCCCCCCCCCCC

Properties

Molecular FormulaC14H30
Molecular Weight198.39
Exact Mass198.23475
Log P (ALogP)5.71
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds11
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.37
NP-likeness0.17

Classification

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

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Terminalia chebula as “Terminalia chebula” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (73)

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  23. 10.1016/S0031-9422(00)90341-8
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  27. 10.1016/S0378-8741(01)00274-4
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  29. 10.1016/j.phytochem.2009.06.013
  30. 10.1021/JF00029A021
  31. 10.1021/JF00034A033
  32. 10.1021/JF00039A035
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  37. 10.1021/jf00120a031
  38. 10.1039/JR9630000677
  39. 10.1055/S-0028-1099475
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Showing 40 of 73. 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.