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
    4.5507    1.4700   -0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    0.0889   -0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    0.1336   -0.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527   -0.3054   -0.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8702   -0.7763   -2.0598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -0.2335   -0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2007    0.2563    0.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034    0.3156    1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    0.7822    2.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6101   -0.1337    0.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9844   -0.0818    0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5838   -1.4578    0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6631    0.8508   -0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7220   -0.8271    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3402    1.4899   -1.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7350    2.1763   -0.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9373    1.7301    0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0261   -0.3542   -1.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5973   -0.5921   -1.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550    0.6175    1.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0334    0.3669    1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1185   -1.6809    1.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7331   -2.1960    0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1890   -1.6730   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160    0.4025   -1.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6882    1.1316   -0.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0503    1.7829   -0.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6420   -1.1878   -0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160   -0.3810    1.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0753   -1.7142    0.6314 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