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
   -4.5959    0.5124    1.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9711    0.0332    0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768   -0.1722    0.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350    0.5072   -0.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189    1.3068   -1.2814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308    0.3009   -0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509   -0.5269    0.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660   -0.7018    0.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1805   -1.4663    1.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5488    0.0222    0.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419   -0.0686    0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4403    1.3288    0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6078   -0.3996   -1.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625   -1.2882   -0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0345    1.3963    1.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6317    0.8262    1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5516   -0.3234    2.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1581    0.7605   -0.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4815    0.8586   -0.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -1.0728    1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2970   -0.7664    1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0261    1.6494    1.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0181    2.0088   -0.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5280    1.4111    0.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6181    0.0592   -1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0626    0.0650   -1.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7627   -1.4890   -1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5963   -1.9457    0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5563   -1.0783   -0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -1.7474   -1.0541 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