Structure Database (LMSD)
Common Name
Heptacosan-10-one
Systematic Name
Heptacosan-10-one
Synonyms
3D model of Heptacosan-10-one
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)
BDRZUARQSWNWBO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H54O/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-27(28)25-23-21-19-10-8-6-4-2/h3-26H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
24
Van der Waals Molecular Volume
481.81
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
9.96
Molar Refractivity
127.16
Admin
Created at
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Updated at
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