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
    5.0882   -0.7607    1.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2944   -0.1428   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9786   -0.6196   -0.0859 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8842    0.1980    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.4117    0.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -0.3333   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170    0.4319    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8590   -0.1267    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0482   -1.3572   -0.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9911    0.6615    0.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2880    0.1225    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0518    0.7405   -1.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0482    0.2792    1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9840   -0.3457   -1.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0237   -1.8799    1.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7733   -0.3191    2.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1588   -0.5247    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482    0.9519    0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4116   -1.3848   -0.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4273    1.4919    0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1935   -0.9633   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4947    1.6680   -1.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0633    0.0547   -1.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0967    1.0261   -0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8101    1.2407    1.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1404    0.3210    1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8850   -0.5935    2.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7761    0.5009   -2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119   -1.2680   -1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700   -0.4813   -1.1425 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