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
    5.0048   -1.0682    0.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762   -0.0410    0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057    0.1906    0.5870 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.0786   -0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317   -0.5366   -1.3076 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554    0.1647    0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5244   -0.0928   -0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8526    0.1503    0.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9881    0.6075    1.4568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0184   -0.1057   -0.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2823    0.1254    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9969   -1.2321    0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1430    1.0365   -0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1354    1.1998   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7236   -0.9714    1.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6910   -2.0827    0.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0890   -0.9702    0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1703   -0.4423   -0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    0.5558    1.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001   -0.4874   -1.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2435    0.5322    1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2689   -2.0354    0.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3584   -1.5333   -0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7913   -1.2430    0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4595    0.5767   -1.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7051    2.0432   -0.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0927    1.1909   -0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7742    1.2858    0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    1.1296   -0.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453    2.1319   -0.1101 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