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
   -5.0956   -1.1075   -0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2141   -0.3550    0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0318    0.0860   -0.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8150   -0.2750    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8291   -0.9783    1.3685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368    0.1326   -0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089   -0.2144    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8539    0.2178   -0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8348    0.9216   -1.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815   -0.1359    0.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2488    0.3157   -0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0182    1.1833    0.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0414   -0.8847   -0.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9725    0.9111    0.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8328   -1.7245    0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207   -1.8141   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6419   -0.3942   -1.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0003   -0.9549    1.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5805    0.7367   -1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6335   -0.8127    1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0054    0.9263   -1.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1898    0.5869    1.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9323    1.5874    0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397    2.0338    0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3502   -1.6422   -1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5526   -1.3406   -0.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7755   -0.6524   -1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0545    0.7290    0.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7209    1.1248    1.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6201    1.7936    0.2353 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