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
    4.8766   -0.3572   -1.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820    0.0206   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966   -0.6043    0.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8204    0.1218    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230    1.3712    0.0914 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048   -0.4750    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5732    0.2805    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8940   -0.3233    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0401   -1.5842    0.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9957    0.5147    0.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3075   -0.0037    0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0642    0.5039   -0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9337    0.4968    1.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1593   -0.4580    1.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6986   -1.4240   -1.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3885    0.2546   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770   -0.1612   -1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1924    1.1211    0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036   -1.5390    0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951    1.3814    0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2446   -1.1058    0.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4961    1.3107   -1.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1860   -0.3592   -1.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0605    0.9130   -0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5990   -0.2217    2.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0338    0.4895    1.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5654    1.5090    1.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0389    0.1848    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0044   -1.5070    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231   -0.3499    0.7711 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