Structure Database (LMSD)
Common Name
(2xi,4xi)-2,4-Dimethyl-1-hexanol
Systematic Name
2,4-dimethylhexan-1-ol
Synonyms
3D model of (2xi,4xi)-2,4-Dimethyl-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)
GDRBQWCGBCJTLB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18O/c1-4-7(2)5-8(3)6-9/h7-9H,4-6H2,1-3H3
SMILES (Click to copy)
OCC(CC(CC)C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
155.75
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.34
Molar Refractivity
40.81
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Created at
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Updated at
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