Structure Database (LMSD)
Common Name
Heptadecyl-palmitate
Systematic Name
heptadecyl hexadecanoate
Synonyms
- WE(17:0/16:0)
3D model of Heptadecyl-palmitate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
JSCXULKPIQSBSR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H66O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-35-33(34)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCC
References
Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
0
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
594.40
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
12.17
Molar Refractivity
156.69
Admin
Created at
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Updated at
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