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
   -5.0336    1.0483    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2985   -0.2133   -0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0436   -0.2121    0.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8516   -0.1098   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9553   -0.0214   -1.6276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5506   -0.1041    0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5299   -0.0042   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8606    0.0068    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9654   -0.0803    1.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0168    0.1102   -0.6155 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3129    0.1209   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1863   -0.9743   -0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8922    1.5012   -0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0888   -1.4255    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8773    1.1328    1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0938    1.0386   -0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4697    1.8968   -0.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1666   -0.1273   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4457   -0.1796    1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399    0.0715   -1.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529    0.0363    1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9554   -1.1415   -1.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9965   -1.9012   -0.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552   -0.7404   -0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    1.6037    0.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1373    2.2370    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0107    1.6396   -1.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4752   -1.2911    1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4074   -2.3126   -0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9076   -1.6048   -0.6922 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