Structure Database (LMSD)
Common Name
heptadecane
Systematic Name
heptadecane
Synonyms
- n-Heptadecane
3D model of heptadecane
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)
NDJKXXJCMXVBJW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCC)CCCCCCCC
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
302.66
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
6.88
Molar Refractivity
80.60
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Updated at
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