Structure Database (LMSD)
Common Name
3-Methyl-3-butenyl octadecanoate
Systematic Name
3-Methyl-3-butenyl octadecanoate
Synonyms
- WE(4:1(3E)(3Me)/18:0)
3D model of 3-Methyl-3-butenyl octadecanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
AJYXKHNQPPDXKA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)25-21-20-22(2)3/h2,4-21H2,1,3H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCC)OCCC(C)=C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
418.76
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
8.04
Molar Refractivity
110.43
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Created at
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Updated at
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