Structure Database (LMSD)

Common Name
Cyclohexyl pentanoate
Systematic Name
cyclohexyl pentanoate
Synonyms
LM ID
LMFA07010825
Formula
C11H20O2
Exact Mass
Calculate m/z
184.14633
Sum Composition
WE 11:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
YLCHTSSXNSNXSW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
SMILES (Click to copy)
O=C(OC1CCCCC1)CCCC

Other Databases

HMDB ID
HMDB0034429
CHEBI ID
171840
PubChem CID
73772

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 201.44
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.34
Molar Refractivity 53.00

Admin

Created at
-
Updated at
-