Monomers

Dimethyl fumarate

Identifiers

IUPAC name
dimethyl (E)-but-2-enedioate
InchI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InchI Key
LDCRTTXIJACKKU-ONEGZZNKSA-N
SMILES
COC(=O)/C=C/C(=O)OC
Canonical SMILES
COC(=O)C=CC(=O)OC
Isomeric SMILES
COC(=O)/C=C/C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O4
Heavy Atom Count
10
Molecular Weight
144.126
Exact Molecular Weight
144.0423
Valence Electrons
56
Radical Electrons
0
tPSA
52.6
MolLogP
-0.1114
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
    4.3008   -0.0461    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158   -0.2900   -0.5106 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    0.0943    0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9438    0.6913    1.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5254   -0.1691   -0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5800    0.2001    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8731   -0.0770   -0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264   -0.6844   -1.6058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0624    0.2946    0.1073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2775   -0.0091   -0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    0.7799    0.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7938   -0.9510    0.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9185    0.3544   -0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650   -0.6817   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5694    0.7162    1.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5800   -1.0575   -0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1101    0.6383   -0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1106    0.1968   -1.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  5 14  1  0
  6 15  1  0
 10 16  1  0
 10 17  1  0
 10 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers