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
    4.5785   -0.3650   -1.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    0.0806   -0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5609   -0.1156   -0.1985 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6402    0.8898   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    2.0586    0.1586 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2299    0.5768    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2444   -0.6474   -0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635   -0.8940   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1072   -2.0472   -0.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5411    0.1505    0.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500   -0.0194    0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5582    0.3986    1.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5899    0.7104   -1.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5511   -0.6788    0.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671   -1.0953   -2.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    0.5254   -2.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5476   -0.8569   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2173    1.1630   -0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738    1.3921    0.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4315   -1.4727   -0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1402   -1.0999   -0.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3018   -0.3613    1.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7282    0.4337    2.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0762    1.3641    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2926    0.2410   -2.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6821    0.6012   -0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2386    1.7457   -1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607   -1.1468    1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1497   -1.5111    0.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1291   -0.0204    1.6147 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