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
    3.8864   -0.8346   -1.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8430   -0.1331   -0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5342    0.2742   -0.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1157    1.5685    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    2.4661    0.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7085    1.8445    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822    0.8698    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955    1.0697    0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1084    2.1927    0.6473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4506   -0.0170    0.3791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8359    0.0484    0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1905   -0.8316    1.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5047   -0.4233   -0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2136   -1.1093    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4178   -0.2022   -2.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -1.8508   -1.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8526   -0.9799   -2.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4985    0.7512   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4190    2.8666    0.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1809   -0.1307    0.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1894    1.0927    0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1525   -1.3161    1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1873   -0.2310    2.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4404   -1.6541    1.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1691    0.2882   -1.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1792   -1.4251   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6025   -0.3442   -0.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0416   -1.7382    0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4650   -0.4590    1.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3031   -1.6521    0.9394 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