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
   -5.2628   -0.3558    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2415    0.7558    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9998    0.3175    0.6787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8217    0.4048   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9086    0.9206   -1.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5409   -0.0593    0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5723    0.0322   -0.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8218   -0.4374    0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263   -0.9482    1.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9754   -0.3289   -0.4109 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2401   -0.7611    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7924   -1.8880   -0.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2199    0.3823    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7983    1.8903    1.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2970    0.0208    0.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1230   -0.8719   -0.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0093   -1.1030    0.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1365    1.1765   -0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115   -0.4900    1.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5648    0.4590   -1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0863   -1.1715    1.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3885   -2.5463   -0.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -2.4750   -1.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3559   -1.5151   -1.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1223    0.1945   -0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7966    1.3439   -0.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5676    0.5226    1.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8949    1.9811    0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5014    1.7292    2.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2853    2.8201    0.7211 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