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
   -5.0869   -1.2211   -0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3104   -0.2684    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9702   -0.6396    0.2980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969    0.1387   -0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1134    1.2693   -0.5534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5095   -0.3351    0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4904    0.4380   -0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8504   -0.0247   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0813   -1.1556    0.4782 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    0.7293   -0.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2712    0.2481   -0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0911    0.1606   -1.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9545    1.1742    0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9264   -0.1695    1.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6280   -0.7190   -1.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4628   -2.0076   -1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8539   -1.7338   -0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3952    0.7422   -0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3152   -1.2900    0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2741    1.4037   -0.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2123   -0.7714    0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9260   -0.5741   -1.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5554   -0.2267   -2.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054    1.1236   -1.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2191    2.1100    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8701    0.6819    1.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    1.3490    1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6724    0.8370    1.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4141   -0.9290    2.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0233   -0.3402    1.5035 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