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