Structure Database (LMSD)

Common Name
4,8-dimethyl-nonanoic acid
Systematic Name
4,8-dimethyl-nonanoic acid
Synonyms
LM ID
LMFA01020288
Formula
C11H22O2
Exact Mass
Calculate m/z
186.16198
Sum Composition
FA 11:0
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]

String Representations

InChiKey (Click to copy)
VZPIUNDOWLDCTC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)
SMILES (Click to copy)
C(=O)(O)CCC(C)CCCC(C)C

Other Databases

HMDB ID
HMDB0002373
CHEBI ID
63864
PubChem CID
13628864

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.31
Molar Refractivity 54.72

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Created at
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Updated at
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