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
    5.1300    0.8300    0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2611    0.0517   -0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9388    0.5898   -0.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8394   -0.1674   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0484   -1.3540    0.2703 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4839    0.3731   -0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5564   -0.3656    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8968    0.1825    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0746    1.3796   -0.2815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312   -0.5280    0.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3342    0.0462    0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9453   -0.1080    1.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1193   -0.7963   -0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225    0.0785   -1.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5811    1.2170    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6269    1.6531   -0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9575    0.1538    0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2296   -1.0013   -0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496    1.3793   -0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3916   -1.3795    0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3228    1.0847    0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1098    0.0806    2.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2259   -1.1905    1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8040    0.5512    1.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7789   -1.8435   -0.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2034   -0.6740   -0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8240   -0.4835   -1.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928   -0.1270   -1.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358   -0.7131   -2.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206    1.0807   -2.2139 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