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
   -4.3406   -0.3355   -1.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8796    0.0793   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4943   -0.0028   -0.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194    1.0215    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0929    2.1672    0.3060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2015    0.7689    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6865    1.7563    0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036    1.4898    0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9129    2.4084    0.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650    0.2119    0.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9329   -0.1531    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1327   -1.1441    1.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2347   -0.7387   -1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5829   -0.7609    0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138   -0.8828   -2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1852   -1.0526   -1.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5544    0.5507   -2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1776    1.1281    0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1927   -0.2256   -0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3352    2.7746    0.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5972    0.7223    0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7801   -2.0044    1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5288   -0.6559    2.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1630   -1.5957    1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2185   -1.2624   -1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2331    0.0831   -1.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196   -1.4419   -1.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7108   -0.1735    1.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5950   -0.9889    0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0886   -1.7432    1.0233 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