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
    4.7594   -0.7110   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8662    0.2114   -0.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5024   -0.0491   -0.5934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6463    0.8830   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1394    1.9891    0.3012 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2194    0.5824    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5652    1.4902    0.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9799    1.2238    0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7190    2.0892    1.4588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272    0.0088    0.5868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8961   -0.2804    0.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5135   -0.5505   -0.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0811   -1.4639    1.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2558    0.1603   -2.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6877   -0.9310   -0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0681   -0.2959    0.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2298   -1.6885    0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    1.2401   -0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991   -0.3711   -0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    2.4442    1.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4107    0.5850    1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7506   -1.0599   -1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4602   -1.1157   -0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7487    0.4329   -1.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7518   -2.2243    1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0771   -1.8980    1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4978   -1.1595    2.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0333    1.1547   -2.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5401   -0.5487   -2.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3095   -0.1476   -2.4068 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