Structure Database (LMSD)
Common Name
octane-1,2-diol
Systematic Name
octane-1,2-diol
Synonyms
- 1,2-Dihydroxyoctane
- 1,2-Octanediol
- 1,2-octylene glycol
3D model of 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-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3
SMILES (Click to copy)
C(CCCCC)C(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
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Created at
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Updated at
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