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
   -6.1538    0.2265    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6927   -0.2488    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7746    0.9153    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561    0.6691    0.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5498    0.3070   -0.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    0.1057   -1.9994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1461    0.1339   -0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790    0.3327    0.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    0.1630    1.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    0.3657    2.3103 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6591   -0.2112    0.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0347   -0.3703    0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8698   -0.7864   -0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7232    0.3340   -1.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3154   -0.8409   -0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654    0.7401    1.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5940   -0.9527   -1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5894    0.5373   -0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6866   -0.6217    0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1314    1.0557    1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4684   -1.0089    0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1481    1.7111   -0.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9549    1.3420    1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5844   -0.1650   -1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1640   -1.0915    1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3472    0.6278    0.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5529   -1.7342   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2950    0.1278   -2.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0909    1.2592   -1.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    0.4644   -1.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    0.1706    0.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9584   -1.2662   -0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3883   -1.5223    0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1119    1.7532    1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0806    0.8881    2.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319   -0.0340    2.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5309   -1.5773   -1.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5035   -0.1976   -2.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7114   -1.6015   -1.2036 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