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
    3.9706   -0.0717    2.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8222   -0.2350    1.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588    0.0044    0.8488 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6040   -0.9307    0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543   -2.0847    0.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1934   -0.6444    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787   -1.5830   -0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9628   -1.3047   -0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7094   -2.1851   -1.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4712   -0.0429   -0.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8145    0.2244   -0.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8319    1.3815   -1.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5004    0.7021    0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7439    0.7155    0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313   -1.0617    3.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1585    0.6078    3.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    0.3644    2.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1010   -1.2910    0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2074    0.3349    0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862   -2.5646   -0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3556   -0.6480   -1.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8851    2.3637   -1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7178    1.3222   -2.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9005    1.3507   -2.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5594    0.9671    0.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8916    1.5289    0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4819   -0.1065    1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2574    1.2866   -0.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6180    0.1388    0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1910    1.4609    1.1541 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