Structure Database (LMSD)

Common Name
Anteisotridecanoic acid
Systematic Name
10-methyl-dodecanoic acid
Synonyms
  • (+)-10-methyl lauric acid
LM ID
LMFA01020005
Formula
Exact Mass
Calculate m/z
214.19328
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
YETWOCQNUTWSQA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-3-12(2)10-8-6-4-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
SMILES (Click to copy)
C(C)(CC)CCCCCCCCC(=O)O

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0230
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.24
Molar Refractivity 64.03

Admin

Created at
-
Updated at
20th Oct 2021