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
    4.4928   -1.1855    0.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9091    0.1010    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229    0.0530    0.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6835    0.1303   -0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    0.2429   -2.0252 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2553    0.0789   -0.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369    0.1540   -1.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722    0.1034   -1.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7771    0.1711   -2.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4930   -0.0222   -0.2568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8980   -0.0688   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2992    1.0499    0.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2492   -1.4211    0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4313    1.2742    0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612   -1.7218   -0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1105   -0.9630    1.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6994   -1.8860    0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1842    0.2027   -1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1769   -0.0207    0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1397    0.2520   -2.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4307    0.0053   -1.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0238    0.6496    1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3941    1.3946    1.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7359    1.9118    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4602   -2.1435    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2592   -1.3124    1.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2533   -1.7688    0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    2.1055    0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5050    0.9682    1.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3860    1.6654    0.4494 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