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Isopropyl Palmitate Extra Pure

CAT: 1442-109380 500Size: 500 mLDry Ice: NoHazardous: No
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CAT#:1442-109380 500Size:500 mL
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CAS Number
142-91-6
Molecular Formula
CH3 (CH2) 14COOCH (CH3) 2
Molecular Weight
298.5
HSN Code
29157090

Chemical Information

Isopropyl Palmitate

Isopropyl palmitate is a fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with propan-2-ol. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is an isopropyl ester and a fatty acid ester. It is functionally related to a hexadecanoic acid.

CAS Number142-91-6
PubChem CID8907
IUPAC Namepropan-2-yl hexadecanoate
Molecular FormulaC19H38O2
Molecular Weight298.5
XLogP8.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity224
SMILES
CCCCCCCCCCCCCCCC(=O)OC(C)C
InChI
InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
InChIKey
XUGNVMKQXJXZCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl Palmitate
CAS: 142-91-6
CID: 8907
Formula: C19H38O2
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass298.287180451
Monoisotopic Mass298.287180451
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity224
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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