Structure Database (LMSD)
Common Name
cis-2-Methyl-5-hexanolide
Systematic Name
2R-Methyl-5S-hexanolide
Synonyms
3D model of cis-2-Methyl-5-hexanolide
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)
QVPKQLPQAUWJAE-RITPCOANSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-5-3-4-6(2)9-7(5)8/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
SMILES (Click to copy)
C1C[C@H](C)OC(=O)[C@@H]1C
References
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
132.24
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.63
Molar Refractivity
34.46
Admin
Created at
-
Updated at
-