Structure Database (LMSD)
Common Name
(S)-(-)-Citronellal
Systematic Name
Synonyms
3D model of (S)-(-)-Citronellal
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)
NEHNMFOYXAPHSD-JTQLQIEISA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
SMILES (Click to copy)
[C@@H](C)(CC=O)CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
185.07
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.96
Molar Refractivity
48.51
Admin
Created at
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Updated at
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