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
   -4.2835    0.5110   -1.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9668    0.0930   -0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5783   -0.1491   -0.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0551   -1.3530    0.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8965   -2.2480    0.6321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322   -1.5953    0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552   -0.6732    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -0.9126    0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451   -2.0085    0.7243 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664    0.0761   -0.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9471   -0.0840    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5679    0.9659    0.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137   -0.0162   -1.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2971    1.2770    0.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310    0.8844   -2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6066   -0.3595   -2.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038    1.3512   -1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5685   -0.7892    0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2879   -2.5449    0.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0845    0.2869   -0.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1888   -1.0905    0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6925    0.5646    2.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5538    1.3045    0.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8846    1.8483    1.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6039    0.0442   -1.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756   -0.9784   -1.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0051    0.8026   -1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4074    1.6636    1.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0429    1.0106    1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7309    2.1186    0.0696 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