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
    4.2971    0.1799    0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0509   -0.3225   -0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377    0.2236    0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9064    1.1702    1.2359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -0.2881   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    0.2217    0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8385   -0.2910   -0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.2332   -1.0512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.2698    0.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3036   -0.1672   -0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814   -0.6112    1.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0797    1.0374    1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8405    0.5814   -0.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5703   -1.0982   -0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5353    1.0418    0.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1763   -0.9915   -0.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9747   -0.4132    0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7300    0.6901   -0.8469 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