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
   -4.6014   -1.1806   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0137    0.1136    0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6166    0.2051    0.1767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0412    1.2379   -0.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8091    2.1149   -1.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.3407   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2325    0.4360   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6519    0.5559   -0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0787    1.5516   -1.2434 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927   -0.3444   -0.1146 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9612   -0.1394   -0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7974   -0.0347    0.8622 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5188   -1.2620   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2058    0.2495    1.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6208   -1.0094   -0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7025   -1.9259    0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0073   -1.6120   -0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5686    0.9442   -0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2495    2.1805   -1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1151   -0.4099    0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0855    0.7928   -1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8442   -0.3487    0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7314    0.9938    1.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3730   -0.7014    1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8870   -2.1568   -1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5832   -1.4457   -1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4878   -0.9983   -2.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1209   -0.2669    2.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318   -0.2064    2.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2086    1.3263    2.1838 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