Structure Database (LMSD)

O OH
Common Name
3,5-Dimethylpentadecanoic acid
Systematic Name
3,5-Dimethylpentadecanoic acid
Synonyms
LM ID
LMFA01020390
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
FA 17:0
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)
ONFXZBQXCIQXBU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-15(2)13-16(3)14-17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)
SMILES (Click to copy)
C(CC(C)CC(C)CCCCCCCCCC)(=O)O

References

Other Databases

CHEBI ID
179982
PubChem CID
56935803

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.65
Molar Refractivity 82.42

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Created at
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Updated at
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