Structure Database (LMSD)
Common Name
Citronellyl cinnamate
Systematic Name
3,7-dimethyloct-6-en-1-yl (2E)-3-phenylprop-2-enoate
Synonyms
3D model of Citronellyl cinnamate
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)
KMXKQELDKDGFRN-OUKQBFOZSA-N
InChi (Click to copy)
InChI=1S/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-13,17H,7,9,14-15H2,1-3H3/b13-12+
SMILES (Click to copy)
C/C(=C\CCC(C)CCOC(/C=C/C1C=CC=CC=1)=O)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
1
Rotatable Bonds
9
Van der Waals Molecular Volume
315.74
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.30
Molar Refractivity
89.37
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Created at
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Updated at
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