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
    4.9305   -1.5025   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2163   -0.6984    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8630   -1.1068    0.3269 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8964   -0.1421    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2633    1.0383   -0.0576 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710   -0.4326    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447    0.5020   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8546    0.1799   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2108   -1.0251    0.0942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8613    1.0956   -0.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2286    0.7534   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0008    1.3974    0.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8826    1.1115   -1.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8964   -1.0375    1.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317   -0.9447   -1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3474   -2.4368   -0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2579   -1.7196   -1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3220    0.3978    0.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1865   -1.4762    0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1025    1.5161   -0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2876   -0.3595   -0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8657    0.8122    1.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0793    1.3922    0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7376    2.4562    0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8049    0.5167   -1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1675    0.9511   -2.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1116    2.1970   -1.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9743   -0.9192    1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6853   -2.0934    1.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980   -0.4230    2.4739 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