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2-Hydroxyethyl tetradecanoate

CAT: 0127-OR1055697-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1055697-02Size:1 g
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CAS Number
22122-18-5
MDL Number
MFCD19707139
Purity
97%
Smiles
CCCCCCCCCCCCCC (OCCO) =O

Chemical Information

2-Hydroxyethyl tetradecanoate
CAS Number22122-18-5
PubChem CID89603
IUPAC Name2-hydroxyethyl tetradecanoate
Molecular FormulaC16H32O3
Molecular Weight272.42
XLogP5.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity192
SMILES
CCCCCCCCCCCCCC(=O)OCCO
InChI
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h17H,2-15H2,1H3
InChIKey
ABFWOTZXBYVPIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxyethyl tetradecanoate
CAS: 22122-18-5
CID: 89603
Formula: C16H32O3
MW: 272.42
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.42
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass272.23514488
Monoisotopic Mass272.23514488
Topological Polar Surface Area46.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity192
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