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
   -4.5426    1.3722   -1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7412    0.0942   -0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9420    0.2600    0.3036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5238    0.1505    0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0968   -0.0928   -0.8856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8211    0.3332    1.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670    0.2739    1.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4281    0.0117    0.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444   -0.2037   -0.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8230   -0.0209    0.9377 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8208   -0.2679   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6878    0.9731   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6583   -1.4894    0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6385   -1.1004   -0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8080    2.1924   -1.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2789    1.3135   -1.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0380    1.5339   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954   -0.1128   -1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4496    0.5506    2.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.4452    2.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4156   -0.4351   -1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1632    1.1147    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907    1.8276   -0.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206    0.9095   -0.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9965   -1.9779   -0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4626   -1.1484    1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9963   -2.1861    0.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7322   -1.3042    0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6037   -1.0171   -1.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1099   -1.9993   -1.0117 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