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
   -4.6303   -0.9000   -0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375    0.3916   -0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5503    0.2783   -0.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7142    0.4423    0.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552    0.7010    1.9196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807    0.3159    0.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5585    0.4623    1.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9940    0.3292    1.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8087    0.4646    2.4572 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5602    0.0384    0.2618 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9804   -0.0895    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2187   -1.5420   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5085    0.8235   -0.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5038    1.4976   -1.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6597   -0.7395   -0.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9951   -1.3516   -1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5660   -1.5823    0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1907    0.6219    0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    0.0915   -0.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957    0.6866    2.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4876    0.0697    1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1850   -1.6561   -0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311   -1.9360   -0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256   -2.2022    0.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257    0.7917   -1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7108    1.8273   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    0.3811   -1.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9727    1.5595   -2.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4498    2.4342   -0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5975    1.2826   -1.1627 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