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
   -2.8667   -1.3273   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7289   -0.4858   -0.0893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899    0.8774    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9932    1.3403    0.0462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030    1.8227    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5784    1.6121    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2739    0.3384   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7494   -0.7857   -0.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6935    0.3263   -0.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3763   -0.9037   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1769   -1.4894    0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577   -2.2917   -0.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7364   -0.8284   -0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0457    2.8886    0.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977    2.5450    0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9245   -1.5965   -0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4283   -0.6554   -0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4764   -1.3868    0.8640 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