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
    2.2528    0.9897    1.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7173    0.3748    0.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118   -0.1988   -0.2878 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0068   -0.0869   -0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4894   -0.6964    1.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5170    1.3134   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6246   -0.9399   -1.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2904    0.2430    0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5439    0.7759    1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0055    0.6650    1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.1922    2.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5858   -0.0101    0.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9506   -0.1681   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6924    1.1328   -0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5567   -0.9075    1.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1256   -1.0103   -1.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5370    0.0470    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9106   -1.5879    1.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430   -1.0352    0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3746    1.4346    0.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7454    2.0321    0.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8504    1.5342   -1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249   -2.0194   -0.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388   -0.8157   -2.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6790   -0.6967   -1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872   -0.2975   -0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1533    1.3197    2.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1704    1.8178   -0.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9383    1.5988    0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6684    0.8930   -0.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9243   -1.7975    1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5899   -1.2210    0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6092   -0.2512    1.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3789   -1.8516   -1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1433   -1.4081   -1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8184   -0.3643   -2.2093 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