Structure Database (LMSD)
Common Name
Citronellyl isobutyrate
Systematic Name
3,7-dimethyloct-6-en-1-yl 2-methylpropanoate
Synonyms
3D model of Citronellyl isobutyrate
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)
ZGPPERKMXSGYRK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3
SMILES (Click to copy)
C/C(=C\CCC(C)CCOC(C(C)C)=O)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
263.06
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.24
Molar Refractivity
68.73
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Created at
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Updated at
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