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
    5.0307    1.2561    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3123   -0.0616    0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0746    0.0025   -0.3779 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8726   -0.0628    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9503   -0.1785    1.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5838    0.0008   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120   -0.0659    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8108   -0.0054   -0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9329    0.1132   -1.5388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056   -0.0703    0.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2718   -0.0158   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9307    1.2812    0.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1557   -1.1779    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1069   -1.2467   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6365    1.5434    0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6237    1.0876   -0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2817    2.0438   -0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1146   -0.1634    1.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5190    0.1031   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4613   -0.1652    1.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2409    0.0885   -1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9184    1.3574   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0434    1.2473    1.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2712    2.1010   -0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1989   -0.7809    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2716   -1.8458   -0.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8915   -1.7303    1.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4207   -1.8508    0.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9223   -0.8857   -0.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4672   -1.9190   -0.8365 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