Structure Database (LMSD)
Common Name
xi-2-Ethyl-1-hexanol
Systematic Name
2-ethylhexan-1-ol
Synonyms
3D model of xi-2-Ethyl-1-hexanol
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)
YIWUKEYIRIRTPP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
SMILES (Click to copy)
C(O)C(CC)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
155.75
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.48
Molar Refractivity
40.88
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Created at
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Updated at
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