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2-Hexyldecanoic acid

CAT: 0013-GTR19215566-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215566-01Size:100 mg
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Description
2-Hexyldecanoic acid is a branched-chain fatty acid used as a biochemical tool in lipid metabolism and membrane biophysics research. It serves as a model compound for studying the effects of branched fatty acids on cellular processes in both in vitro and in vivo experimental systems.
CAS Number
25354-97-6
Field of Research
Pharmacology & Drug Discovery
Smiles
CCCCCCCCC (CCCCCC) C (O) =O
Molecular Formula
C16H32O2
Molecular Weight
256.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Hexyldecanoic acid

Hexyldecanoic acid is a medium-chain fatty acid.

CAS Number25354-97-6
PubChem CID32912
IUPAC Name2-hexyldecanoic acid
Molecular FormulaC16H32O2
Molecular Weight256.42
XLogP6.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity190
SMILES
CCCCCCCCC(CCCCCC)C(=O)O
InChI
InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
InChIKey
JMOLZNNXZPAGBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hexyldecanoic acid
CAS: 25354-97-6
CID: 32912
Formula: C16H32O2
MW: 256.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.42
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass256.240230259
Monoisotopic Mass256.240230259
Topological Polar Surface Area37.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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