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
    4.5462    1.5345    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9260    0.1917    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5181    0.2191    0.2809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6979   -0.2059   -0.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2183   -0.5976   -1.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2293   -0.1942   -0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5227   -0.6042   -1.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9668   -0.5925   -1.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7294   -0.9791   -2.3692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5278   -0.1552   -0.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9271   -0.1218   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583   -1.0231    1.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3963    1.2715    0.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4651   -0.8434    1.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7402    2.3052    0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9227    1.7142    1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3109    1.7319   -0.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903   -0.1938   -0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2061    0.1458    0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0698   -0.9519   -2.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4064   -0.4931   -0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2306   -2.1042    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2522   -0.7890    1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5161   -0.8649    1.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8579    1.7326   -0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1168    1.2455    1.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4849    1.8726    0.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0262   -0.6438    2.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1144   -1.8395    0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5636   -0.7676    1.1819 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