ChemFOnt: Showing chemical card for (E)-2-Nonen-1-ol (CFc000336837)

Record Information

Version

1.0

Creation Date

Update Date

2022-09-14 05:30:13 UTC

Chemfont ID

CFc000336837

Molecule Identification

Common Name

(E)-2-Nonen-1-ol

Definition

(E)-2-Nonen-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, (e)-2-nonen-1-ol is considered to be a fatty alcohol lipid molecule (e)-2-nonen-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (E)-2-Nonen-1-ol is a green, melon, and violet tasting compound found in muskmelon, which makes (e)-2-nonen-1-ol a potential biomarker for the consumption of this food product.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2E)-2-Nonen-1-ol	ChEBI
(2E)-Nonen-1-ol	ChEBI
(e)-2-Nonen-1-ol	ChEBI
(e)-2-Nonenol	ChEBI
(e)-Non-2-enol	ChEBI
trans-2-Nonen-1-ol	ChEBI
trans-2-Nonenol	ChEBI
2-Nonene-1-ol	HMDB
FEMA 3379	HMDB

Chemical Formula

C₉H₁₈O

Average Molecular Weight

142.2386

Monoisotopic Molecular Weight

142.135765198

IUPAC Name

(2E)-non-2-en-1-ol

Traditional Name

(2E)-non-2-en-1-ol

CAS Registry Number

31502-14-4

SMILES

CCCCCC\C=C\CO

InChI Identifier

InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7+

InChI Key

NSSALFVIQPAIQK-BQYQJAHWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Fatty alcohols

Alternative Parents

Substituents

Fatty alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Fatty alcohols (LMFA05000131 )

Functional Ontology

Exogenous (HMDB: HMDB0041498)

Food

Vegetable

Shoot vegetable

Asparagus (FooDB: FOOD00021)

Gourd

Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)

Fruit

Tropical fruit

Prickly pear (FooDB: FOOD00440)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.28 g/L	ALOGPS
logP	3.58	ALOGPS
logP	2.82	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	16.08	ChemAxon
pKa (Strongest Basic)	-2.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	46.1 m³·mol⁻¹	ChemAxon
Polarizability	18.77 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0041498

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021468

KNApSAcK ID

C00029344

Chemspider ID

4517048

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5364941

PDB ID

Not Available

ChEBI ID

142604

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for (E)-2-Nonen-1-ol (CFc000336837)

MOL for CFc000336837 ((E)-2-Nonen-1-ol)

3D MOL for CFc000336837 ((E)-2-Nonen-1-ol)

3D SDF for CFc000336837 ((E)-2-Nonen-1-ol)

3D-SDF for CFc000336837 ((E)-2-Nonen-1-ol)

PDB for CFc000336837 ((E)-2-Nonen-1-ol)

3D PDB for CFc000336837 ((E)-2-Nonen-1-ol)

SMILES for CFc000336837 ((E)-2-Nonen-1-ol)

INCHI for CFc000336837 ((E)-2-Nonen-1-ol)

Structure for CFc000336837 ((E)-2-Nonen-1-ol)

3D Structure for CFc000336837 ((E)-2-Nonen-1-ol)