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
    4.5537    0.1828    1.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9645   -0.0036   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793    0.1444   -0.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9634    1.1125   -1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7237    1.8586   -1.7392 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5151    1.2333   -1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2633    0.4451   -0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7077    0.6076   -0.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2164    1.4994   -1.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753   -0.1941    0.2549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9786   -0.0545    0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6772   -1.2760   -0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5648    0.3589    1.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3643   -1.3390   -0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6362    0.4301    0.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5309   -0.7409    1.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1252    1.0446    1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4190    0.7704   -0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808    1.9961   -1.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904   -0.3138    0.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968    0.7926   -0.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0819   -2.2094   -0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8038   -1.2485   -1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7042   -1.3785    0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3479    1.4283    1.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6785    0.2087    1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2394   -0.2605    2.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5038   -1.8126   -1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403   -2.0179    0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2452   -1.2644   -1.4460 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