Structure Database (LMSD)
Common Name
Citronellyl isovalerate
Systematic Name
3,7-dimethyloct-6-en-1-yl 3-methylbutanoate
Synonyms
3D model of Citronellyl isovalerate
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)
WZTNQQJXPYEGAF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3
SMILES (Click to copy)
C/C(=C\CCC(C)CCOC(CC(C)C)=O)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
280.36
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.63
Molar Refractivity
73.35
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Created at
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Updated at
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