Structure Database (LMSD)
Common Name
3-Hydroxynonyl acetate
Systematic Name
3-hydroxynonyl acetate
Synonyms
LM ID
LMFA07010753
Formula
Exact Mass
Calculate m/z
202.156895
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-Hydroxynonyl 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
String Representations
InChiKey (Click to copy)
RTYFAKSWXDNPPU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3
SMILES (Click to copy)
O=C(C)OCCC(CCCCCC)O
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
222.59
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.84
Molar Refractivity
57.02
Admin
Created at
-
Updated at
6th Jun 2022