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
    4.8295    1.1369   -1.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2254    0.5087   -0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178    0.9450   -0.3885 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8201    0.1019   -0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0362   -1.1248   -0.4378 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4833    0.5618   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5127   -0.2817    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859    0.1265    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1675    1.3236    0.5279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8672   -0.8168    0.4403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2280   -0.5478    0.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1187   -0.9346   -0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6923   -1.1832    1.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0654    0.8091    0.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023    2.0024   -2.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8008    0.4064   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8632    1.5013   -1.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2271   -0.5942   -0.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3026    1.6073    0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2895   -1.3456   -0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3235    0.5511    0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8719   -0.1828   -0.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6419   -1.9060   -0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5076   -1.1104   -1.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7284   -1.5756    1.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6926   -0.4641    2.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9787   -2.0375    2.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6866    0.1141    1.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1379    0.5729    0.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    1.8362    0.9283 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