Structure Database (LMSD)

Common Name
4,14-dimethyl-octadecanoic acid
Systematic Name
4,14-dimethyl-octadecanoic acid
Synonyms
LM ID
LMFA01020049
Formula
C20H40O2
Exact Mass
Calculate m/z
312.30283
Sum Composition
FA 20:0
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)
FGNSVLSYJYYWPY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O2/c1-4-5-13-18(2)14-11-9-7-6-8-10-12-15-19(3)16-17-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
SMILES (Click to copy)
C(CCCC(C)CCCC)CCCCCC(C)CCC(=O)O

Other Databases

CHEBI ID
179705
LIPIDBANK ID
DFA7017
PubChem CID
5282630

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 369.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.82
Molar Refractivity 96.28

Admin

Created at
-
Updated at
-