ChemFOnt: Showing chemical card for 10-methyltetradecanoic acid (CFc000319838)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 04:47:35 UTC

Chemfont ID

CFc000319838

Molecule Identification

Common Name

10-methyltetradecanoic acid

Definition

10-methyltetradecanoic acid, also known as 10-methylmyristic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 10-methyltetradecanoic acid is a weakly acidic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
10-Methylmyristic acid	ChEBI
10-Methylmyristate	Generator
10-Methyltetradecanoate	Generator

Chemical Formula

C₁₅H₃₀O₂

Average Molecular Weight

242.403

Monoisotopic Molecular Weight

242.224580206

IUPAC Name

10-methyltetradecanoic acid

Traditional Name

10-methyltetradecanoic acid

CAS Registry Number

Not Available

SMILES

CCCCC(C)CCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C15H30O2/c1-3-4-11-14(2)12-9-7-5-6-8-10-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)

InChI Key

FDPYUFACKYXEAP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Methyl-branched fatty acid
Branched fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.00059 g/L	ALOGPS
logP	6.48	ALOGPS
logP	5.65	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	4.95	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	72.43 m³·mol⁻¹	ChemAxon
Polarizability	31.73 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

11593611

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14298658

PDB ID

Not Available

ChEBI ID

132910

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 10-methyltetradecanoic acid (CFc000319838)

MOL for CFc000319838 (10-methyltetradecanoic acid)

3D MOL for CFc000319838 (10-methyltetradecanoic acid)

3D SDF for CFc000319838 (10-methyltetradecanoic acid)

3D-SDF for CFc000319838 (10-methyltetradecanoic acid)

PDB for CFc000319838 (10-methyltetradecanoic acid)

3D PDB for CFc000319838 (10-methyltetradecanoic acid)

SMILES for CFc000319838 (10-methyltetradecanoic acid)

INCHI for CFc000319838 (10-methyltetradecanoic acid)

Structure for CFc000319838 (10-methyltetradecanoic acid)

3D Structure for CFc000319838 (10-methyltetradecanoic acid)