Structure Database (LMSD)

O OH
Common Name
8-[3]-ladderane-octanoic acid
Systematic Name
8-[3]-ladderane-octanoic acid
Synonyms
LM ID
LMFA01140006
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Sum Composition
FA 20:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
RIAWBSMXETVQRQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c21-18(22)7-5-3-1-2-4-6-13-8-9-16-17(12-13)20-15-11-10-14(15)19(16)20/h13-17,19-20H,1-12H2,(H,21,22)
SMILES (Click to copy)
C1CC2C3C4CCC4C3C2CC1CCCCCCCC(=O)O

References

Other Databases

PubChem CID
10380342

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 320.06
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.12
Molar Refractivity 87.47

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Created at
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Updated at
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