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
   -5.1618    0.1516    1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2996   -0.1478   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0266    0.5072   -0.0253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8377   -0.2117   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9402   -1.4580   -0.1904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5334    0.4125   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476   -0.3231   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8666    0.2629    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0128    1.5040    0.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0146   -0.5073   -0.0463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    0.1069    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9898   -0.4174    1.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1117   -0.1386   -1.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9695    0.3159   -1.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1514    0.4731    0.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2372   -0.7572    1.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7057    0.9789    1.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1263   -1.2343   -0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393    1.4776    0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4613   -1.3941   -0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570    1.2198    0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2257   -0.4687    2.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4439   -1.3830    1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7416    0.3297    1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    0.6322   -1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -1.1332   -1.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1887   -0.0560   -0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6778    1.1439   -1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1894    0.6290   -2.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5529   -0.5151   -1.8496 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