Structure Database (LMSD)

Common Name
3,5-Dimethyldodecanoic acid
Systematic Name
3,5-Dimethyldodecanoic acid
Synonyms
  • 3,5-Dimethyldodecanoic acid
LM ID
LMFA01020388
Formula
C14H28O2
Exact Mass
Calculate m/z
228.20893
Sum Composition
FA 14:0
Status
Curated
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]

String Representations

InChiKey (Click to copy)
BJCDOTOCKDZJAQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
SMILES (Click to copy)
C(CC(C)CC(C)CCCCCCC)(=O)O

Other Databases

CHEBI ID
179795
PubChem CID
56935801

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 265.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.48
Molar Refractivity 68.57

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Created at
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Updated at
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