Monomers

Dimethyl maleate

Identifiers

IUPAC name
dimethyl (Z)-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-ARJAWSKDSA-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
    3.7917    0.8487   -0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021    0.6002   -0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754   -0.7036   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8153   -1.6245   -0.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5642   -0.9984   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3192   -0.0429   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7545   -0.3128   -0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -1.4934   -0.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6888    0.7092   -0.1503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0595    0.3728   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3886   -0.0810   -0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0978    1.3098   -1.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0633    1.5039    0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2240   -2.0144   -0.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0074    0.9968   -0.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5538    0.7358   -0.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5488    0.9182    0.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2174   -0.7243    0.0117 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