Structure Database (LMSD)

Common Name
6-[3]-ladderane-hexanoic acid
Systematic Name
6-[3]-ladderane-hexanoic acid
Synonyms
LM ID
LMFA01140005
Formula
C18H28O2
Exact Mass
Calculate m/z
276.20893
Sum Composition
FA 18:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
AYMKDPCMEDAVJJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c19-16(20)5-3-1-2-4-11-6-7-14-15(10-11)18-13-9-8-12(13)17(14)18/h11-15,17-18H,1-10H2,(H,19,20)
SMILES (Click to copy)
C1C2C3C4CCC4C3C2CC(CCCCCC(=O)O)C1

Other Databases

PubChem CID
10468709

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 285.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.34
Molar Refractivity 78.24

Admin

Created at
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Updated at
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