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
   -5.0988    0.3484    0.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2981   -0.1029   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0223    0.4759   -0.1769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8395   -0.2544   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9567   -1.5052   -0.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5328    0.3685   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5435   -0.3794    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8771    0.2184    0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0081    1.4625    0.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0270   -0.5483    0.1917 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3011    0.0376    0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0162   -0.3085    1.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756   -0.3322   -0.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0596    0.3342   -1.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3844    0.5398    1.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8078   -0.4751    1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6485    1.2910    0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2853   -1.2013   -0.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.4402   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4394   -1.4519    0.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1779    1.1357    0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4194   -0.0295    2.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2325   -1.3904    1.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9520    0.2890    1.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2369   -0.3093   -0.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9062   -1.3757   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9438    0.3704   -1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2486    1.4395   -1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5915    0.0509   -2.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0624   -0.1379   -1.4305 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