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
   -4.4033   -0.9561   -1.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9826    0.1600   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5763    0.2991   -0.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9163    1.4597   -0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142    2.4392   -0.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4616    1.5367   -0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2825    0.5156   -0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337    0.6553   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2751    1.7614   -0.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898   -0.3451    0.2368 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9896   -0.1296    0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759   -1.1622   -0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4443   -0.2632    1.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4425   -0.2197    1.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5478   -1.6359   -1.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2941   -1.4986   -0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6279   -0.5464   -2.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4825    1.0937   -0.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0065    2.4801   -0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2238   -0.3929    0.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060    0.8992   -0.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0371   -0.7372   -1.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4780   -1.6303   -0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9440   -1.9952   -0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6686    0.2689    2.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4211    0.2081    1.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4610   -1.2950    2.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6785    0.6768    1.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6441   -0.7929    1.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3178   -0.9277    1.0608 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