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
    4.1232    0.0955    1.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046   -0.5687    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213   -0.5917    0.2781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.7781    0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730   -2.8473    0.2221 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3079   -1.7861    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389   -0.6369   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866   -0.6720   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3978   -1.7528   -0.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071    0.4965   -0.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9124    0.5643   -0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4386    1.3100    0.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1877    1.3987   -1.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    0.1660   -0.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2900    1.1827    1.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0442   -0.3681    2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730   -0.1033    2.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1992   -1.5954    0.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2210   -2.7285   -0.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2025    0.2985    0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3973   -0.4111   -0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8091    2.2220    0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5097    1.5198    0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986    0.6279    1.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    0.9956   -2.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2860    1.3744   -1.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9028    2.4554   -1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710   -0.5157   -1.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4306    0.6267   -0.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9191    1.0217   -1.0599 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