Monomers

Diisopropyl fumarate

Identifiers

IUPAC name
dipropan-2-yl (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3/b6-5+
InchI Key
FNMTVMWFISHPEV-AATRIKPKSA-N
SMILES
CC(OC(=O)/C=C/C(=O)OC(C)C)C
Canonical SMILES
CC(C)OC(=O)C=CC(=O)OC(C)C
Isomeric SMILES
CC(C)OC(=O)/C=C/C(=O)OC(C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O4
Heavy Atom Count
14
Molecular Weight
200.234
Exact Molecular Weight
200.1049
Valence Electrons
80
Radical Electrons
0
tPSA
52.6
MolLogP
1.4458
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

 30 29  0  0  0  0  0  0  0  0999 V2000
    4.4753    0.7844   -1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743    0.2295    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5698    0.4061    0.2359 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7678   -0.7104    0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021   -1.8370    0.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369   -0.5807    0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303   -1.6428    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972   -1.5523    0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5535   -2.6196    0.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800   -0.3721    0.2722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9867   -0.2515    0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5115    0.5803    1.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3679    0.4533   -1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6094    0.9284    1.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5708    0.7368   -1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750    1.8049   -1.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9878    0.1791   -1.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507   -0.8427    0.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1177    0.3872    0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0471   -2.6111    0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4979   -1.2379    0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7908   -0.0429    2.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4481    1.1016    1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8031    1.3833    1.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7951   -0.2975   -1.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0690    1.3043   -0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860    0.9069   -1.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9186    1.9585    1.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9287    1.0543    2.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5205    0.3993    1.7648 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  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  2 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  6 19  1  0
  7 20  1  0
 11 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
 14 29  1  0
 14 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers