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
    2.1620    0.7841    2.0678 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890    0.3157    1.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5611   -0.1757    0.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -0.1824    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3146   -1.0070    1.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5170   -0.8602   -1.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4726    1.2343    0.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2686    0.2516    0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2181   -0.2484   -0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6416   -0.3038   -0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1364   -0.7729   -1.6677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071    0.1864    0.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    0.1963    0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4628    0.8198    1.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669   -1.1968    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3789    1.0461   -0.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3492   -1.4022    1.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   -1.8849    1.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -0.4107    2.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6012   -0.1055   -1.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7834   -1.6143   -1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4611   -1.3891   -0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.9786    0.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2469    1.4628   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    1.3494    1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4148    0.6382    1.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -0.6279   -1.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5192    1.0778    1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2359    0.1283    2.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8195    1.7271    1.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7008   -1.3916   -1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7984   -1.9893    0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4294   -1.2422    0.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4844    1.0871   -0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069    2.0275   -0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1320    0.4938   -1.8704 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