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COCONUT Compound

Nonylcyclohexane

CNP0080463.0 · C15H30 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameNonylcyclohexane
IUPAC Namenonylcyclohexane
COCONUT IDCNP0080463.0
CAS2883-02-5
InChIKeyCLMFECCMAVQYQA-UHFFFAOYSA-N
InChIInChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3
SMILESCCCCCCCCCC1CCCCC1

Properties

Molecular FormulaC15H30
Molecular Weight210.40
Exact Mass210.23475
Log P (ALogP)5.71
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds8
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.45
NP-likeness0.41

Classification

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

Reported in GR-MAPs Plants

Oryza sativa as “Oryza sativa” in COCONUT

References (4)

  1. 10.1016/J.RENENE.2017.12.012
  2. 10.1021/JF00120A031
  3. 10.1021/jf00120a031
  4. 10.3724/SP.J.1238.2012.00106

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.