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Isobutyl Decanoate

CAT: 0024-sc-486554Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-486554Size:25 mL
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CAS Number
30673-38-2

Chemical Information

Isobutyl decanoate

Isobutyl decanoate is a decanoate ester obtained by the formal condensation of the carboxy group of decanoc acid (capric acid) with the alcoholic hydroxy group of isobutanol. It has a role as a metabolite. It is functionally related to an isobutanol.

CAS Number30673-38-2
PubChem CID121738
IUPAC Name2-methylpropyl decanoate
Molecular FormulaC14H28O2
Molecular Weight228.37
XLogP5.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count16
Formal Charge0
Complexity164
SMILES
CCCCCCCCCC(=O)OCC(C)C
InChI
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
InChIKey
AXTPGRJJIGEOOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobutyl decanoate
CAS: 30673-38-2
CID: 121738
Formula: C14H28O2
MW: 228.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.37
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass228.208930132
Monoisotopic Mass228.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity164
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

Related Products

CatalogName
sc-214989Ethyl decanoate
sc-215870BSodium decanoate
sc-215870CSodium decanoate
sc-280184Vinyl decanoate
sc-215344AMethyl decanoate
sc-504209Bromoperidol Decanoate
sc-487423Isopropyl Decanoate
sc-215870ASodium decanoate
sc-486491Amyl Decanoate
sc-279167Fluphenazine decanoate

Alternative Products

CatalogName
T21223-01Isobutyl decanoate
PCA05300-01Zuclopenthixol decanoate
FH23735-01Haloperidol decanoate
581931Pentyl decanoate
HY-145786-01Abiraterone decanoate
T32072-01Hexyl decanoate
T33973-01Phenethyl decanoate
T2556-01Nandrolone decanoate
HY-W127351-01Cholesterol decanoate
T31561Dodecyl decanoate

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