Structure Database (LMSD)
Common Name
Citronellyl trans-2-methyl-2-butenoate
Systematic Name
3,7-dimethyloct-6-en-1-yl (2E)-2-methylbut-2-enoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Citronellyl trans-2-methyl-2-butenoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
UCFQYMKLDPWFHZ-MKMNVTDBSA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+
SMILES (Click to copy)
O=C(/C(/C)=C/C)OCCC(C)CC/C=C(/C)\C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
277.72
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.55
Molar Refractivity
73.33
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Created at
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Updated at
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