Structure Database (LMSD)

O OH
Common Name
4,12-dimethyl-tridecanoic acid
Systematic Name
4,12-dimethyl-tridecanoic acid
Synonyms
LM ID
LMFA01020037
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
FA 15:0
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]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
RDZXTVBBIJUSEU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-13(2)9-7-5-4-6-8-10-14(3)11-12-15(16)17/h13-14H,4-12H2,1-3H3,(H,16,17)
SMILES (Click to copy)
C(CC(C)C)CCCCCC(C)CCC(=O)O

References

Other Databases

LIPIDBANK ID
DFA7005
PubChem CID
5282618

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.87
Molar Refractivity 73.19

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Created at
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Updated at
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