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
    4.9333    0.9199    1.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2959    0.2536    0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9905    0.7132    0.1111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8536   -0.0367    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9926   -1.2467    0.5014 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5117    0.4751   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383   -0.3246    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8804    0.1818   -0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0325    1.3920   -0.5792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9929   -0.6047   -0.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3128   -0.1661   -0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1612   -0.2268    0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996   -0.9747   -1.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2192    0.3605   -0.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0371    0.7013    1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7555    2.0098    1.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183    0.5000    2.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1981   -0.8314    0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3725    1.5061   -0.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4143   -1.3655    0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2651    0.9118   -0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2089   -0.1585    0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9753   -1.1732    1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8566    0.6139    1.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6446   -2.0368   -1.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7586   -0.5702   -2.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1048   -0.9487   -1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6891    0.3268   -1.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196    1.3024   -0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9592   -0.4674   -0.7358 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