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
   -2.1367   -0.7504    1.7333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6343   -0.3332    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5396    0.0216   -0.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9265   -0.0620   -0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4221   -1.4610    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5270    0.3670   -1.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4988    0.8459    0.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.2252    0.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2813    0.2174   -0.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.3212   -0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1953    0.7389   -1.9399 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5565   -0.0457    0.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621    0.0597   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3758   -0.8137   -1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6131   -0.3934    1.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3897    1.4766   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3104   -1.7074   -0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6779   -1.6268    1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6099   -2.1631   -0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4332   -0.5108   -2.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8450    1.1471   -1.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5404    0.7573   -1.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5881    0.5980    0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0696    0.6775    1.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3859    1.9138    0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531   -0.5106    1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3905    0.4989   -1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4112   -1.1373   -1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3351   -0.1933   -2.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681   -1.6521   -1.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6584   -0.0677    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4943   -1.4995    1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9824    0.0077    2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4881    1.5271   -0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491    1.7649   -1.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    2.2130    0.3784 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