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
   -4.5026   -1.2335   -0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9689   -0.0194   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6057    0.0533   -0.3185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6985   -0.1434    0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1825   -0.3851    1.8468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2581   -0.0776    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5323   -0.2773    1.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9775   -0.2264    1.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7205   -0.4179    2.4137 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771    0.0350    0.2019 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9751    0.0752    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5180   -0.9511   -0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3814    1.4414   -0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7604    1.1627   -0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1519   -2.1263   -0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6075   -1.1775   -0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9940   -1.2493   -1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1665   -0.2424    0.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921    0.1272   -0.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1046   -0.4862    2.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4672   -0.1167    1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6245   -0.7676   -0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1001   -0.7884   -1.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4129   -1.9884   -0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1445    1.3725   -1.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5176    1.9949   -0.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    2.1044    0.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5094    1.4554   -1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8420    0.8382   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7446    2.0144    0.1874 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