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2-Hydroxyethyl palmitate

CAT: 0127-OR1071366-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1071366-02Size:100 mg
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CAS Number
4219-49-2
MDL Number
MFCD01709442
Purity
95%
Smiles
CCCCCCCCCCCCCCCC(OCCO)=O

Chemical Information

2-Hydroxyethyl hexadecanoate

2-hydroxyethyl hexadecanoate is a hexadecanoate ester obtained by the formal condensation of carboxy group of hexadecaoic acid with one of the hydroxy groups of ethylene glycol. It has a role as a Brassica napus metabolite. It is a primary alcohol and a hexadecanoate ester. It is functionally related to an ethylene glycol.

CAS Number4219-49-2
PubChem CID20201
IUPAC Name2-hydroxyethyl hexadecanoate
Molecular FormulaC18H36O3
Molecular Weight300.5
XLogP6.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count21
Formal Charge0
Complexity217
SMILES
CCCCCCCCCCCCCCCC(=O)OCCO
InChI
InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h19H,2-17H2,1H3
InChIKey
BXCRLBBIZJSWNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxyethyl hexadecanoate
CAS: 4219-49-2
CID: 20201
Formula: C18H36O3
MW: 300.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.5
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass300.26644501
Monoisotopic Mass300.26644501
Topological Polar Surface Area46.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity217
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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