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
    5.1142    0.3421   -1.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3024    0.0117   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060   -0.4262   -0.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8932    0.2469    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0298    1.2827    0.7853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5572   -0.2427   -0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5137    0.3957    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8283   -0.1071   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9561   -1.1636   -0.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063    0.5134    0.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2800   -0.0004   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0309    0.9554   -1.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1146   -0.3589    1.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9899   -1.0571    0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9177   -0.3319   -2.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1843    0.2259   -0.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9676    1.4107   -1.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359    0.9424    0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341   -1.1424   -0.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4026    1.2917    0.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1090   -0.9220   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3322    1.4907   -1.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6886    1.6478   -0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7006    0.3521   -1.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9043    0.4298    1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6438   -1.3297    0.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -0.4078    2.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7873   -2.0470    0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -1.1068    1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0891   -0.8954    0.8184 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