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
    5.0843   -0.8461    1.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1771    0.3117    0.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666   -0.0412    0.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7915    0.2277    0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6916    0.7950    1.7829 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6113   -0.1351   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5969    0.1143    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674   -0.2538   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6092   -0.8256   -1.5720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575   -0.0148   -0.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110   -0.3594   -0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1064   -1.3241   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0158    0.8461   -1.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0157    1.3192    0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1130   -0.4450    1.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8213   -1.2887    2.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0819   -1.5474    0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8513    0.7983    1.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7341   -0.6239   -1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7198    0.6044    1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8473   -0.8457   -1.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1091   -1.2813   -0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7364   -2.3656   -0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2526   -1.0748    0.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5683    0.6734   -2.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    1.1729   -0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3372    1.7203   -1.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4477    2.0942    0.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3700    1.8148   -0.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7996    0.7802   -0.4212 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