Structure Database (LMSD)
Common Name
21-methyl tricosanyl oleate
Systematic Name
21-methyl tricosanyl 9Z-octadecenoate
Synonyms
- WE(23:0(21Me)/18:1(9Z))
3D model of 21-methyl tricosanyl oleate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
HULCDFXZBJGGQD-ATVHPVEESA-N
InChi (Click to copy)
InChI=1S/C42H82O2/c1-4-6-7-8-9-10-11-12-17-21-24-27-30-33-36-39-42(43)44-40-37-34-31-28-25-22-19-16-14-13-15-18-20-23-26-29-32-35-38-41(3)5-2/h12,17,41H,4-11,13-16,18-40H2,1-3H3/b17-12-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCCCC)OCCCCCCCCCCCCCCCCCCCCC(C)CC
References
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
0
Aromatic Rings
0
Rotatable Bonds
38
Van der Waals Molecular Volume
747.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
15.31
Molar Refractivity
198.08
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Created at
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Updated at
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