Structure Database (LMSD)
Common Name
5-Ethylundecan-4-one
Systematic Name
5-Ethylundecan-4-one
Synonyms
3D model of 5-Ethylundecan-4-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)
DVNNCHCOETZLSW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O/c1-4-7-8-9-11-12(6-3)13(14)10-5-2/h12H,4-11H2,1-3H3
SMILES (Click to copy)
CCCC(=O)C(CC)CCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
239.61
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.35
Molar Refractivity
62.46
Admin
Created at
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Updated at
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