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
    4.3313    1.6287   -0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0127    0.2291   -0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040    0.0371   -0.3565 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9677   -0.9098   -1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824   -1.6152   -1.8861 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5274   -1.1141   -1.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2894   -0.4170   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7043   -0.6851   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1447   -1.5756   -1.1654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5977    0.0247    0.3696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0025   -0.2238    0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4923   -0.6996    1.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6798    1.0732   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5985   -0.0443    0.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3414    1.9533   -0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5907    2.3182   -0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1180    1.7016   -1.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4247   -0.5012   -1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1192   -1.8767   -1.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1251    0.3461    0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2416   -1.0453   -0.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5857   -0.5336    1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9431   -0.1369    2.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3506   -1.8057    1.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9872    1.7889   -0.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5421    0.9421   -0.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0217    1.5405    0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6901   -0.0496    0.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361   -1.0481    1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.6982    1.7133 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