Monomers

Di-tert-butyl maleate

Identifiers

IUPAC name
ditert-butyl (Z)-but-2-enedioate
InchI
InChI=1S/C12H20O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-8H,1-6H3/b8-7-
InchI Key
MSVGHYYKWDQHFV-FPLPWBNLSA-N
SMILES
O=C(OC(C)(C)C)/C=C\C(=O)OC(C)(C)C
Canonical SMILES
CC(C)(C)OC(=O)C=CC(=O)OC(C)(C)C
Isomeric SMILES
CC(C)(C)OC(=O)/C=C\C(=O)OC(C)(C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H20O4
Heavy Atom Count
16
Molecular Weight
228.288
Exact Molecular Weight
228.1362
Valence Electrons
92
Radical Electrons
0
tPSA
52.6
MolLogP
2.226
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

 36 35  0  0  0  0  0  0  0  0999 V2000
   -2.1545    1.3169    0.2289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8855    0.0912    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9595   -0.7812    0.1045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2609   -0.2995    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5896    0.4798    1.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6538    0.5181   -1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1900   -1.5220    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5090   -0.3804    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995    0.4691    0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8741   -0.0412    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0845   -1.2752    0.0155 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9728    0.7891    0.1367 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3045    0.3166    0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -0.6063    1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6114   -0.3677   -1.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2349    1.5079    0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3739    1.5611    1.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6880    0.3913    1.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1171   -0.0002    2.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351   -0.1707   -1.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7068    0.8622   -0.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9831    1.3490   -1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2334   -1.2446    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9686   -2.0530    1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7965   -2.1883   -0.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484   -1.4462    0.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3011    1.5198    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7326   -1.6511    0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5886   -0.3417    1.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8388   -0.6031    2.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6978   -0.4988   -1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956    0.3053   -2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -1.3070   -1.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4633    1.7157    1.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2305    1.1909   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    2.3942   -0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  2  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
  5 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  0
  7 24  1  0
  7 25  1  0
  8 26  1  0
  9 27  1  0
 14 28  1  0
 14 29  1  0
 14 30  1  0
 15 31  1  0
 15 32  1  0
 15 33  1  0
 16 34  1  0
 16 35  1  0
 16 36  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers