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
    4.6969    0.8261    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9141   -0.0724   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477   -0.1229    0.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6251    0.2955   -0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246    0.7067   -1.9471 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2108    0.2550   -0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1624   -0.1886    0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5728   -0.2523    1.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -0.6695    2.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5861    0.1448    0.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    0.0936    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5634    1.4747    0.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6497   -0.8109   -0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4599   -1.4877   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127    0.2172    1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0955    1.6693    1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5913    1.1693    0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0449    0.3125   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5281    0.5836   -1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -0.5163    1.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1272   -0.2978    1.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0347    2.2101    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3819    1.7908   -0.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6319    1.4683    0.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7671   -1.8579   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6466   -0.4058   -0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0370   -0.9265   -1.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2681   -1.5253    0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -1.8829   -1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826   -2.2009    0.2606 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