Structure Database (LMSD)
Common Name
Chaulmoogric acid
Systematic Name
13R-(2-cyclopentenyl)-tridecanoic acid
Synonyms
- 2-cyclopentene-1-tridecanoic acid
- 13-(2-cyclopenten-1-yl)tridecanoic acid
- 13-(cyclopent-2-enyl)-n-tridecanoic acid
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XMVQWNRDPAAMJB-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m0/s1
SMILES (Click to copy)
C(CCC[C@]1([H])CCC=C1)CCCCCCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
319.90
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.72
Molar Refractivity
84.90
Admin
Created at
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Updated at
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