Structure Database (LMSD)
Common Name
2-Propenyl cyclohexanepentanoate
Systematic Name
prop-2-en-1-yl 5-cyclohexylpentanoate
Synonyms
3D model of 2-Propenyl cyclohexanepentanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NDXGAVFJHHVIQN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2
SMILES (Click to copy)
C1C(CCCCC(OCC=C)=O)CCCC1
References
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
1
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
250.70
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.14
Molar Refractivity
66.69
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Created at
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Updated at
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