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
    4.6661   -1.2524   -0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.2521    0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -0.0939   -0.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696   -0.3918    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9295   -0.8155    1.9455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831   -0.2221    0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839    0.2197   -0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    0.3998   -1.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9533    0.8157   -2.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5691    0.0880   -0.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9251    0.2382   -0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6877   -1.0689   -0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6153    1.2474    0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6712    1.0624    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2508   -2.2763   -0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7193   -1.2908   -0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403   -0.9941   -1.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0306   -0.6366    1.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5699   -0.4692    1.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5703    0.4640   -1.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0093    0.6209   -1.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1459   -1.8539    0.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6789   -0.8980    0.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8915   -1.4573   -1.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5184    1.6699   -0.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9494    2.1190    0.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9459    0.7864    1.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8305    1.2601   -0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9941    1.8782    0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    1.1034    0.7020 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