Monomers

bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate

Identifiers

IUPAC name
bis(2-methylpropyl) (Z)-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-WDZFZDKYSA-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
   -6.5659   -0.3381   -0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2520   -0.0603    0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1477   -0.5361   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9122   -0.2914    0.3479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7514   -0.6524   -0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8451   -1.1786   -1.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4744   -0.3989    0.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339   -0.7423   -0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9341   -0.4721    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9708    0.0586    1.4639 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672   -0.8097   -0.2762 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3975   -0.7231   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    0.6641    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3810    1.5962    1.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4357    0.5338    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743   -1.3753   -1.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1108    1.4504    0.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6547   -1.4273   -0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4055   -0.0712    0.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5752    0.2510   -0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1429   -0.5798    1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2176    0.0862   -1.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2526   -1.5946   -0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    0.0705    1.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9249   -1.2558   -0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7246   -1.2970    0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8135    1.1410   -1.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2941    1.1670    2.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1718    2.4318    1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4492    2.1040    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7979    1.5599    0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9247    0.0119   -0.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5304   -0.0756    1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6488   -1.5800   -1.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1119   -2.3827   -1.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1775   -0.6904   -2.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8029    1.8693   -0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0718    1.9044    1.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2878    1.6324    1.4839 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