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2-Octyldecanoic acid

CAT: 0804-HY-W176477-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W176477-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Octyldecanoic acid (Octyldecanoic acid) is a saturated fatty acid with a long aliphatic tail consisting of 17 carbon atoms and a carboxylic acid group.
CAS Number
619-39-6
Product Name Alternative
Octyldecanoic acid
UNSPSC
12352211
Hazard Statement
H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
99.98
Smiles
CCCCCCCCC(CCCCCCCC)C(O)=O
Molecular Formula
C18H36O2
Molecular Weight
284.48
Precautions
H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Decanoic acid, 2-octyl-
CAS Number619-39-6
PubChem CID69271
IUPAC Name2-octyldecanoic acid
Molecular FormulaC18H36O2
Molecular Weight284.5
XLogP7.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity197
SMILES
CCCCCCCCC(CCCCCCCC)C(=O)O
InChI
InChI=1S/C18H36O2/c1-3-5-7-9-11-13-15-17(18(19)20)16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,19,20)
InChIKey
OYYXZGFIZTYYRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decanoic acid, 2-octyl-
CAS: 619-39-6
CID: 69271
Formula: C18H36O2
MW: 284.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.5
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass284.271530387
Monoisotopic Mass284.271530387
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity197
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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