Structure Database (LMSD)
Common Name
Hydroxycitronellol
Systematic Name
3,7-dimethyloctane-1,7-diol
Synonyms
LM ID
LMFA05000666
Formula
Exact Mass
Calculate m/z
174.16198
Sum Composition
Status
Active
3D model of Hydroxycitronellol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
FPCCDPXRNNVUOM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
SMILES (Click to copy)
C(CO)C(C)CCCC(O)(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
199.14
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
2.52
Molar Refractivity
52.02
Admin
Created at
-
Updated at
-