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
    4.7096    0.1957    1.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656   -0.3485    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5957    0.0178    0.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5809   -0.9269    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290   -2.1323    0.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1544   -0.5404    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    0.7133    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271    1.0410   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947    2.2348    0.0087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5842    0.0515   -0.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9739    0.2795   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6737   -0.2982    1.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160   -0.2255   -1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5728    0.1872   -1.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7870    0.3031    0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7178   -0.5047    2.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    1.2236    1.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0933   -1.4565    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649   -1.3240   -0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5614    1.4770    0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1248    1.3790   -0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0931   -1.1189    1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7825    0.4844    1.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6885   -0.6683    0.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5183    0.5593   -2.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1217   -1.1297   -1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6649   -0.4662   -1.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0269    1.1765   -0.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    0.3114   -1.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3733   -0.4952   -1.5379 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