Structure Database (LMSD)
Common Name
Lauryl behenate
Systematic Name
dodecanyl docosanoate
Synonyms
- WE(12:0/22:0)
- dodecyl docosanoate
3D model of Lauryl behenate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unidentified
(#32644)
Structural characterization of wax esters by electron ionization mass spectrometry.,
J Lipid Res, 2012
J Lipid Res, 2012
Pubmed ID:
22058425
DOI:
10.1194/jlr.D020834
String Representations
InChiKey (Click to copy)
IFLDFHHUUCVKNJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34(35)36-33-31-29-27-25-14-12-10-8-6-4-2/h3-33H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
611.70
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
12.56
Molar Refractivity
161.31
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