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
   -3.8374   -0.4338    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4356   -0.2601    0.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7941    0.6375    0.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4529    1.2862    1.7892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3672    0.8257    0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3477    0.1300   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    0.3170   -0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572    1.1408    0.6087 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839   -0.4191   -1.0822 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8772   -0.2390   -1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2084   -0.6618   -0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3426    0.4393    0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0913   -1.3469    0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455    1.5287    1.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1372   -0.5771   -0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1483    0.7423   -0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3643   -1.0845   -0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618   -0.3169   -2.2627 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