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
    4.7067   -0.9879   -0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    0.3117   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412    0.0618   -0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6336    0.7384   -0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418    1.6177   -1.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2334    0.4581   -0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1660   -0.4589    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5762   -0.7184    0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -1.5890    1.5084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5726   -0.0249    0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9249   -0.2727    0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6821    0.9278    0.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6373   -0.7756   -1.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5928    0.7981    1.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9374   -1.5060    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6094   -0.8286   -1.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9678   -1.5800   -1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1889    1.1005   -0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5074    1.0182   -0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5627   -1.0282    1.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0160   -1.0737    0.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5721    1.0811    1.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4609    1.8536    0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7767    0.7189    0.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2843   -0.1833   -1.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7262   -0.6328   -0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4576   -1.8575   -1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9364   -0.0610    1.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8527    1.4378    1.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4894    1.4546    0.9244 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