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COCONUT Compound

NONANOIC ACID

CNP0128686.0 · C9H18O2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameNONANOIC ACID
IUPAC Namenonanoic acid
COCONUT IDCNP0128686.0
CAS112-05-0, 68937-75-7
InChIKeyFBUKVWPVBMHYJY-UHFFFAOYSA-N
InChIInChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
SMILESCCCCCCCCC(=O)O

Properties

Molecular FormulaC9H18O2
Molecular Weight158.24
Exact Mass158.13068
Log P (ALogP)2.82
TPSA37.30
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds7
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.58
NP-likeness0.63

Classification

NP PathwayFatty acids
NP SuperclassFatty Acids and Conjugates
NP ClassBranched fatty acids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassFatty Acyls
Chemical SubclassFatty acids and conjugates

Reported in GR-MAPs Plants

Pelargonium graveolens as “Pelargonium graveolens” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (83)

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Showing 40 of 83. 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.