Structure Database (LMSD)
Common Name
octyl 2-methyl-propionyl
Systematic Name
octyl 2-methyl-propionyl
Synonyms
- WE(8:0/3:0(2Me))
3D model of octyl 2-methyl-propionyl
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
PQCYCHFQWMNQRJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
SMILES (Click to copy)
O=C(C(C)C)OCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
231.10
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.83
Molar Refractivity
59.66
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Created at
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Updated at
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