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
   -4.6772   -0.9779   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9662    0.2816   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5758    0.1768   -0.4097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148    0.2225    0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098    0.3687    1.8113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697    0.1089    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484    0.1527    1.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919    0.0404    1.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688    0.0817    2.4182 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6088   -0.1254    0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0193   -0.2343    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6012    0.7933   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2913   -1.6427   -0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5156    1.5092   -1.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3110   -1.3564   -1.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6209   -1.7832   -0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7625   -0.7340   -0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2189    0.4063    0.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   -0.0186   -0.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1315    0.2779    2.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034   -0.1722    1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4939    0.3773   -1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    1.6829   -0.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    1.1279   -1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9201   -1.7296   -1.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618   -2.3443    0.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3389   -1.9327   -0.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6179    1.3769   -1.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2473    2.3884   -0.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0733    1.6780   -2.0111 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