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
   -4.3560    0.6809   -1.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7395   -0.3493   -0.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056   -1.4044   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4095   -1.0624   -0.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964   -0.5570    0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937   -0.3423    1.4922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3527   -0.2698    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2156    0.2175    1.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445    0.5067    1.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2143    0.9779    2.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671    0.2907    0.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8488    0.5692    0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5233    0.2551   -0.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9923    0.5987   -0.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3304   -1.1709   -1.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5556    0.4904    2.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1403    0.2510    0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3622    1.1240   -1.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3036    0.1310   -2.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1256    1.4754   -2.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6902   -0.8368   -1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7180   -1.9916   -1.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0373   -2.1959   -0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141   -0.4716   -0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    1.6594    0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3963    0.0630    1.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1393    0.8999   -1.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1037    1.7071   -0.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6153    0.1351   -1.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2950    0.2562    0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2555   -1.3252   -1.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982   -1.3462   -2.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6887   -1.8876   -0.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3188    1.2861    2.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9728   -0.4336    3.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1312    0.9015    3.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1088   -0.4831    1.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5167    1.1232    0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2240    0.5934    0.2984 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