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
   -4.5710   -0.9312    1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9895   -0.4004    0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5984   -0.1528    0.1715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6496   -0.8212   -0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0584   -1.6688   -1.4211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2327   -0.5204   -0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1603    0.3803    0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    0.7145    0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9220    1.5760    1.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757    0.0955   -0.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9439    0.3974    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628   -0.7799    0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327    1.0102   -1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6660    0.8440   -0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7794   -2.0007    1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5047   -0.3806    1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8873   -0.7952    2.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1060   -1.1909   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735   -1.0692   -1.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715    0.8955    1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0193    1.1777    0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6399   -0.8904   -0.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793   -1.7258    0.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1632   -0.6561    1.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7288    0.2081   -1.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5207    1.4454   -0.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8988    1.8170   -1.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1312    1.7136   -0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7385    0.8521   -0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5986    0.8565   -1.5385 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