Structure Database (LMSD)
Common Name
3-propyl acrolein
Systematic Name
2-hexenal
Synonyms
3D model of 3-propyl acrolein
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
MBDOYVRWFFCFHM-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
SMILES (Click to copy)
CCC/C=C/C([H])=O
References
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
115.87
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.54
Molar Refractivity
30.11
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Created at
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Updated at
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