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Decyloleate

CAT: 0127-OR1051180-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1051180-02Size:250 mg
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CAS Number
3687-46-5
MDL Number
MFCD00048401
Purity
95%
Smiles
CCCCCCCCCCOC(=O)CCCCCCC/C=CCCCCCCCC

Chemical Information

Decyl Oleate

Decyl oleate is a wax ester obtained by the formal condensation of the carboxy group of oleic acid with the hydroxy group of decanol. It is functionally related to an oleic acid and a decan-1-ol.

CAS Number3687-46-5
PubChem CID5363234
IUPAC Namedecyl (Z)-octadec-9-enoate
Molecular FormulaC28H54O2
Molecular Weight422.7
XLogP12.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count25
Heavy Atom Count30
Formal Charge0
Complexity362
SMILES
CCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15-
InChIKey
SASYSVUEVMOWPL-NXVVXOECSA-N
Chemical Structure
2D Structure
2D structure of Decyl Oleate
CAS: 3687-46-5
CID: 5363234
Formula: C28H54O2
MW: 422.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.7
XLogP312.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count25
Exact Mass422.412380961
Monoisotopic Mass422.412380961
Topological Polar Surface Area26.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity362
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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