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COCONUT Compound

HENTRIACONTANE

CNP0197230.0 · C31H64 · View on COCONUT ↗

2D Structure

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Identifiers

NameHENTRIACONTANE
IUPAC Namehentriacontane
COCONUT IDCNP0197230.0
CAS630-04-6
InChIKeyIUJAMGNYPWYUPM-UHFFFAOYSA-N
InChIInChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Properties

Molecular FormulaC31H64
Molecular Weight436.85
Exact Mass436.50080
Log P (ALogP)12.34
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds28
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.11
NP-likeness0.08

Classification

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

Reported in GR-MAPs Plants

Withania somnifera as “Withania somnifera” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Plantago ovata as “Plantago ovata” in COCONUT
Hibiscus rosa-sinensis as “Hibiscus rosa-sinensis” in COCONUT
Nepeta cataria as “Nepeta cataria” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Cestrum nocturnum as “Cestrum nocturnum” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT
Euphorbia thymifolia L. as “Euphorbia thymifolia” in COCONUT

References (120)

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Showing 40 of 120. 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.