Structure Database (LMSD)
Common Name
hexadecyl tricosanoate
Systematic Name
hexadecyl tricosanoate
Synonyms
- WE(16:0/23:0)
3D model of hexadecyl tricosanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands
String Representations
InChiKey (Click to copy)
KVPNEQOFBDJTSL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C39H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39(40)41-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCC)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
0
Aromatic Rings
0
Rotatable Bonds
37
Van der Waals Molecular Volume
698.20
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
14.51
Molar Refractivity
184.39
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Created at
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Updated at
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