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
    0.2337    2.1064    4.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785    1.6156    3.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260    1.7043    2.3146 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    0.5660    1.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865   -0.5095    2.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0227    0.6379    0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946   -0.4451   -0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548   -0.4308   -1.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0521    0.6462   -2.4257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7746   -1.5791   -2.6783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216   -1.5688   -3.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -2.5767   -4.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2790   -2.0603   -4.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    2.3975    3.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6493    2.5527    4.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248    1.3442    5.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6565    2.9445    5.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434    0.5501    3.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095    1.5714   -0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2418   -1.3886   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6230   -0.5637   -4.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0813   -2.3510   -3.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700   -3.5755   -3.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0213   -2.5796   -4.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5354   -1.6684   -5.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203   -3.1775   -5.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050   -1.7650   -4.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4416    3.4767    3.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589    1.9794    2.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0068    2.1469    4.7144 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