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
   -3.8025    2.2945   -1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8011    0.8744   -0.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4821    0.4035   -0.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338   -0.6798   -1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8932   -1.2087   -2.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6688   -1.1740   -1.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.5745   -0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -1.0257   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9274   -1.9924   -0.9708 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4564   -0.4214    0.5538 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8003   -0.8118    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179   -1.2939    2.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7856    0.2314    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5475    0.8285    0.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0765    2.8992   -0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7859    2.7905   -1.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5206    2.3931   -2.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3822    0.2553   -1.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3802   -2.0167   -1.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.2729    0.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9493   -1.6940    0.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4139   -0.8640    2.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1368   -0.9596    2.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1315   -2.4042    2.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7370   -0.3183    0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493    0.9629    1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    0.6597   -0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0623    0.1185    1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4703    1.8294    1.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6247    0.6252    0.4970 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