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Oleyl Acetate

CAT: 0127-OR1078316-01Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1078316-01Size:25 mL
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CAS Number
693-80-1
Synonyms
Acetic Acid Oleyl Ester
MDL Number
MFCD00056326
Purity
>60.0%
Smiles
CCCCCCCCC=CCCCCCCCCOC (=O) C

Chemical Information

Oleyl acetate

Oleyl acetate is an acetate ester derived from (9Z)-octadecen-1-ol (oleic alcohol). It has a role as a mouse metabolite and a rat metabolite. It is functionally related to a (9Z)-octadecen-1-ol.

CAS Number693-80-1
PubChem CID5363289
IUPAC Name[(Z)-octadec-9-enyl] acetate
Molecular FormulaC20H38O2
Molecular Weight310.5
XLogP7.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Heavy Atom Count22
Formal Charge0
Complexity258
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)C
InChI
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10-
InChIKey
GYGAZRPDUOHMAF-KHPPLWFESA-N
Chemical Structure
2D Structure
2D structure of Oleyl acetate
CAS: 693-80-1
CID: 5363289
Formula: C20H38O2
MW: 310.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.5
XLogP37.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass310.287180451
Monoisotopic Mass310.287180451
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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