Structure Database (LMSD)

Common Name
2,4-dimethyl-2-eicosenoic acid
Systematic Name
2,4-dimethyl-2-eicosenoic acid
Synonyms
LM ID
LMFA01020134
Formula
C22H42O2
Exact Mass
Calculate m/z
338.31848
Sum Composition
FA 22:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
LHBAARNMEIXEDK-XUTLUUPISA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(2)19-21(3)22(23)24/h19-20H,4-18H2,1-3H3,(H,23,24)/b21-19+
SMILES (Click to copy)
C(CCCCCCCCCC)CCCCCC(C)/C=C(\C)/C(=O)O

Other Databases

CHEBI ID
180037
LIPIDBANK ID
DFA7102
PubChem CID
5282673

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 401.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.52
Molar Refractivity 105.49

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Created at
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Updated at
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