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
    4.3525   -1.8620    0.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8149   -0.5170    0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   -0.4599    0.5363 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8089    0.4878   -0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5305    1.3321   -0.8662 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3881    0.5502   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2092    1.4426   -1.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6489    1.4542   -1.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683    2.2639   -2.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4057    0.4887   -0.7393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8107    0.4300   -0.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2613   -0.8690   -1.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4490    0.6577    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1821   -0.2687    2.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0643   -2.2325    1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729   -1.7503   -0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5222   -2.5957    0.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2553    0.3138    0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2385   -0.1919    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675    2.1884   -1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1232    1.2484   -1.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4735   -1.6534   -0.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2426   -0.6608   -1.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5491   -1.1978   -2.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8635    1.3921    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4692   -0.3346    1.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5166    0.9556    0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5465   -0.8155    2.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1867    0.8312    2.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2340   -0.6277    2.3196 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