Structure Database (LMSD)
Common Name
Citronellyl formate
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Citronellyl formate
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)
DZNVIZQPWLDQHI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3
SMILES (Click to copy)
C/C(/C)=C/CCC(C)CCOC=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
211.16
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.22
Molar Refractivity
54.95
Admin
Created at
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Updated at
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