Structure Database (LMSD)
Common Name
Citronellic acid
Systematic Name
3,7-dimethyl-6-octenoic acid
Synonyms
- Rhodinic acid
3D model of Citronellic acid
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
String Representations
InChiKey (Click to copy)
GJWSUKYXUMVMGX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
SMILES (Click to copy)
C(=C(/C)\C)/CCC(C)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.84
Molar Refractivity
50.08
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Created at
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Updated at
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