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
    2.1876    1.5703    0.4449 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.4326    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399   -0.5786   -0.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0391   -0.3787   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4924    0.6461   -1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140   -0.0328    1.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6903   -1.7000   -0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890    0.2363    0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5048    1.2666    0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9484    1.1628    0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6480    2.1560    0.6056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5935   -0.0378    0.1048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9968   -0.1628    0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6391    0.1896    1.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3256   -1.6065   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5107    0.6742   -1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6422    1.1127   -1.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9929    1.4652   -0.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2251    0.2315   -1.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2968    0.7486    1.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646   -0.9376    1.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    0.3551    1.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3287   -2.4706    0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -1.9062   -1.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8016   -1.5346   -0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1807   -0.7096   -0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0694    2.2477    0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2377   -0.4737    2.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4865    1.2236    1.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7277    0.0309    1.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1091   -1.7824   -1.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6369   -2.2417    0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3906   -1.8358   -0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5270    0.3554   -1.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7723    0.5260   -1.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4746    1.7580   -0.8404 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