Structure Database (LMSD)
Common Name
octane
Systematic Name
octane
Synonyms
- n-Octane
3D model of octane
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)
TVMXDCGIABBOFY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
SMILES (Click to copy)
C(CCC)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
146.96
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.37
Molar Refractivity
39.05
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Created at
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Updated at
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