Monomers

Butanedioic acid, methyl, diisobutyl ester

Identifiers

IUPAC name
bis(2-methylpropyl) (E)-2-methylbut-2-enedioate
InchI
InChI=1S/C13H22O4/c1-9(2)7-16-12(14)6-11(5)13(15)17-8-10(3)4/h6,9-10H,7-8H2,1-5H3/b11-6+
InchI Key
GSWRSQKYPYOMBE-IZZDOVSWSA-N
SMILES
CC(COC(=O)/C=C(/C(=O)OCC(C)C)\C)C
Canonical SMILES
CC(C)COC(=O)C=C(C)C(=O)OCC(C)C
Isomeric SMILES
CC(C)COC(=O)/C=C(\C)/C(=O)OCC(C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C13H22O4
Heavy Atom Count
17
Molecular Weight
242.315
Exact Molecular Weight
242.1518
Valence Electrons
98
Radical Electrons
0
tPSA
52.6
MolLogP
2.3311
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

 39 38  0  0  0  0  0  0  0  0999 V2000
    6.3398   -1.5160    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3302   -0.4845   -0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9377   -0.9884   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0363    0.0258   -0.4687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6405   -0.1340   -0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905   -1.1850    0.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912    0.9079   -0.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4920    0.9436   -0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4036   -0.0349   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089   -1.1459    0.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7949    0.1879   -0.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7284   -0.7537    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1058   -0.1253    0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2401    1.1732    0.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1178   -1.1559    0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    2.1965   -1.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5700    0.7649    0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9558   -2.5083   -0.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4413   -1.5491    1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915   -1.3098   -0.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -0.2809   -1.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7782   -1.1108    1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799   -1.8975   -0.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2602    1.8297   -1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6523   -1.7150   -0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6195   -0.9468    1.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2791    0.0677   -0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5804    1.9112    0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2766    1.5250    0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0469    1.0947    1.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7922   -2.1265    0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0960   -0.9210    0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0957   -1.3181    1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4705    2.8488   -1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6964    2.6313   -0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9639    1.7934   -1.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6841    1.0400    1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7768    1.5978   -0.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4882    0.6680    1.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
  8 16  1  0
  2 17  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  7 24  1  0
 12 25  1  0
 12 26  1  0
 13 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
 17 37  1  0
 17 38  1  0
 17 39  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers