ChemFOnt: Showing chemical card for 6,10,14-trimethyl-2-methylidenepentadecanoic acid (CFc000155853)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 23:41:29 UTC

Chemfont ID

CFc000155853

Molecule Identification

Common Name

6,10,14-trimethyl-2-methylidenepentadecanoic acid

Definition

SCHEMBL7563427 is a very weakly acidic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₃₆O₂

Average Molecular Weight

296.495

Monoisotopic Molecular Weight

296.271530399

IUPAC Name

6,10,14-trimethyl-2-methylidenepentadecanoic acid

Traditional Name

6,10,14-trimethyl-2-methylidenepentadecanoic acid

CAS Registry Number

Not Available

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(=C)C(O)=O

InChI Identifier

InChI=1S/C19H36O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-17H,5-14H2,1-4H3,(H,20,21)

InChI Key

QIEXMGLSJSUEGT-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Functional Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.00038 g/L	ALOGPS
logP	6.67	ALOGPS
logP	7.12	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	5.07	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	13	ChemAxon
Refractivity	90.51 m³·mol⁻¹	ChemAxon
Polarizability	38.13 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

HMDB0175445

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

23286505

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 6,10,14-trimethyl-2-methylidenepentadecanoic acid (CFc000155853)

MOL for CFc000155853 (6,10,14-trimethyl-2-methylidenepentadecanoic acid)

3D MOL for CFc000155853 (6,10,14-trimethyl-2-methylidenepentadecanoic acid)

3D SDF for CFc000155853 (6,10,14-trimethyl-2-methylidenepentadecanoic acid)

3D-SDF for CFc000155853 (6,10,14-trimethyl-2-methylidenepentadecanoic acid)

PDB for CFc000155853 (6,10,14-trimethyl-2-methylidenepentadecanoic acid)

3D PDB for CFc000155853 (6,10,14-trimethyl-2-methylidenepentadecanoic acid)

SMILES for CFc000155853 (6,10,14-trimethyl-2-methylidenepentadecanoic acid)

INCHI for CFc000155853 (6,10,14-trimethyl-2-methylidenepentadecanoic acid)

Structure for CFc000155853 (6,10,14-trimethyl-2-methylidenepentadecanoic acid)

3D Structure for CFc000155853 (6,10,14-trimethyl-2-methylidenepentadecanoic acid)