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
    4.5311   -1.3103   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9565    0.0824   -0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5506   -0.0212   -0.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6217    0.3647   -0.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0301    0.8270   -2.0624 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1809    0.2643   -0.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878    0.6457   -1.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1205    0.5347   -1.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9847    0.8852   -2.2430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5693    0.0308   -0.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -0.1085    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2054    0.7898    1.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3203   -1.5059    0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6246    0.9542    0.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7685   -2.0058   -0.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497   -1.2922   -0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7871   -1.6635    0.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1461    0.5100   -1.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2035   -0.1265    0.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296    1.0493   -2.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5459    0.2516   -0.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5257    1.6691    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8805    0.2264    2.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2669    1.0698    1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4781   -2.0800    0.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7972   -2.0578   -0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1042   -1.4750    1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5907    0.5044    1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7568    1.9767    0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9675    1.0104    1.6780 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