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
   -4.6728    1.1768    0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9117    0.0376   -0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5670    0.0026   -0.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5721    0.0925   -1.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9602    0.2062   -2.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1526    0.0576   -0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2121   -0.0618    0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105   -0.1027    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.2166    2.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5864   -0.0131    0.0068 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684   -0.0391    0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795   -1.1443   -0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5303    1.3031   -0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5390   -1.2872   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3892    1.3436    1.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6264    2.0657   -0.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7523    0.8647    0.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.1416   -1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878    0.1283   -1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5299   -0.1347    1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1581   -0.1438    1.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7723   -0.9674   -0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3551   -1.1766   -1.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4897   -2.1293   -0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416    1.2297   -1.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4119    1.5695    0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7288    2.0796   -0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6166   -1.1532    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4412   -2.0378   -0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0533   -1.6915    0.9049 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