Structure Database (LMSD)
Common Name
(2S)-octane-1,2-diol
Systematic Name
(2S)-octane-1,2-diol
Synonyms
3D model of (2S)-octane-1,2-diol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
AEIJTFQOBWATKX-QMMMGPOBSA-N
InChi (Click to copy)
InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m0/s1
SMILES (Click to copy)
C(CCCCC)[C@H](O)CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
164.54
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
1.88
Molar Refractivity
42.85
Admin
Created at
-
Updated at
-