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
   -4.5443   -0.3862   -1.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9396    0.0047   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5605   -0.2819   -0.1737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298    0.7275    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0313    1.8874    0.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2210    0.4167   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2444   -0.7974   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6764   -1.0039   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1967   -2.1398   -0.5407 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5185    0.0480   -0.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9157    0.0126   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3807    0.8855   -1.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369    0.5576    1.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5115   -0.8159    1.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5498    0.0801   -1.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8722    0.0081   -2.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5834   -1.4835   -1.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794    1.0654    0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4745    1.2579    0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -1.6169   -0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.0255   -0.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4359    1.9276   -0.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4151    0.6470   -1.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679    0.9103   -2.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6460    1.6621    1.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9472    0.3077    2.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5657    0.1489    1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5663   -1.8853    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5308   -0.4559    1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8721   -0.6627    1.9228 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