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Decanoic acid cyclopentyl methyl ester

CAT: 0013-GTR19223572-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223572-01Size:100 mg
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Description
This compound, the cyclopentyl methyl ester of decanoic acid, is a biochemical research tool. It is utilized in metabolic studies and lipid research, serving as a precursor or intermediate in both in vitro enzymatic assays and in vivo model investigations of fatty acid metabolism.
CAS Number
120194-91-4
Smiles
O=C (OCC1CCCC1) CCCCCCCCC
Molecular Formula
C16H30O2
Molecular Weight
254.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Decanoic acid cyclopentyl methyl ester

structure given in first source

CAS Number120194-91-4
PubChem CID129083
IUPAC Namecyclopentylmethyl decanoate
Molecular FormulaC16H30O2
Molecular Weight254.41
XLogP6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count18
Formal Charge0
Complexity207
SMILES
CCCCCCCCCC(=O)OCC1CCCC1
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-13-16(17)18-14-15-11-9-10-12-15/h15H,2-14H2,1H3
InChIKey
ACRFCWGJALRWRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decanoic acid cyclopentyl methyl ester
CAS: 120194-91-4
CID: 129083
Formula: C16H30O2
MW: 254.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.41
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass254.224580195
Monoisotopic Mass254.224580195
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity207
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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