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
    5.9997    0.3934   -0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5385    0.0363   -0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493    0.8932    0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4952    0.5966    0.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5544    0.6930   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422    1.0804   -1.5130 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1384    0.3679   -0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3395   -0.0454    0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7516   -0.3469    1.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2192   -0.7392    2.1519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6376   -0.2190    0.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0151   -0.5310    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7068   -0.2877   -1.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1754   -0.6214   -0.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5717    1.1818   -1.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5368   -0.2062    2.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777   -1.4252   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1864    1.2990   -0.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   -0.3895   -0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3069    0.6515   -1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880    0.1620   -1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4184    0.8782    1.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9151    1.9500    0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5389    0.4783   -1.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0628   -1.6094    0.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4888    0.0905    0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2236   -0.8912   -1.9469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2965   -1.7258   -1.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8101   -0.1370   -1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4532   -0.3000    0.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5605    1.6105   -1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0799    1.7459   -0.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9269    1.3224   -2.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0152   -0.5675    3.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0235    0.7778    2.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572   -0.9238    1.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5191   -1.8952   -0.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3657   -1.9409   -0.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4921   -1.4065    0.9627 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