Structure Database (LMSD)
Common Name
Heptane
Systematic Name
Heptane
Synonyms
3D model of Heptane
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
IMNFDUFMRHMDMM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
SMILES (Click to copy)
CCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
129.66
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
2.98
Molar Refractivity
34.43
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Created at
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Updated at
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