Structure Database (LMSD)
Common Name
2-Heptanol
Systematic Name
heptan-2-ol
Synonyms
3D model of 2-Heptanol
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)
CETWDUZRCINIHU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
SMILES (Click to copy)
CCCCCC(O)C
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
138.45
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.23
Molar Refractivity
36.33
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Created at
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Updated at
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