Structure Database (LMSD)
Common Name
Citronellyl acetate
Systematic Name
Synonyms
3D model of Citronellyl acetate
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
Level 4 Class
String Representations
InChiKey (Click to copy)
JOZKFWLRHCDGJA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
SMILES (Click to copy)
C/C(/C)=C/CCC(CCOC(C)=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
228.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.61
Molar Refractivity
59.57
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Created at
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Updated at
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