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
    5.0687   -0.0574    1.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3010   -0.0044   -0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0306   -0.5828    0.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    0.1596   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350    1.3629   -0.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5618   -0.3977    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5187    0.3138   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8668   -0.2495    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0053   -1.4343    0.4538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0123    0.4884   -0.1507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3146    0.0313    0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0014    0.0342   -1.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1070    0.8392    1.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -0.7579   -1.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655   -0.0862    2.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7759   -0.8989    1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6797    0.8764    1.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077    1.0612   -0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790   -1.4148    0.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906    1.3313   -0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3645   -1.0393    0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6345   -0.8683   -1.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2484    0.0164   -2.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6770    0.9170   -1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8993    1.9364    0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8587    0.6113    2.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2016    0.7090    0.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6773   -0.4778   -2.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1483   -0.5940   -1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8283   -1.8252   -1.0950 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