Structure Database (LMSD)

Common Name
3,5-dimethyl-tetradecanoic acid
Systematic Name
3,5-dimethyl-tetradecanoic acid
Synonyms
LM ID
LMFA01020171
Formula
C16H32O2
Exact Mass
Calculate m/z
256.24023
Sum Composition
FA 16:0
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)
SKJWMMVZGNPZES-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-14(2)12-15(3)13-16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
SMILES (Click to copy)
C(CCCC)CCCCC(C)CC(C)CC(=O)O

Other Databases

CHEBI ID
179744
LIPIDBANK ID
DFA7139
PubChem CID
5282698

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 300.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.26
Molar Refractivity 77.81

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Created at
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Updated at
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