Structure Database (LMSD)
Common Name
(+)-cis-Isopulegone
Systematic Name
Synonyms
3D model of (+)-cis-Isopulegone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
RMIANEGNSBUGDJ-RKDXNWHRSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
SMILES (Click to copy)
C1C[C@@H](C(=O)C[C@@H]1C)C(C)=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
172.71
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.57
Molar Refractivity
46.33
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Created at
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Updated at
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