Structure Database (LMSD)
Common Name
Linalyl acetate
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Linalyl acetate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
UWKAYLJWKGQEPM-LBPRGKRZSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1
SMILES (Click to copy)
[C@](C)(C=C)(CC/C=C(\C)/C)OC(=O)C
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
225.82
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.53
Molar Refractivity
59.55
Admin
Created at
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Updated at
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