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
   -4.6805    1.1602    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0180   -0.1967    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6212   -0.0492   -0.0995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7004   -0.3871    0.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183   -0.8452    1.9572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624   -0.2432    0.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5844   -0.5810    1.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0236   -0.4411    1.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365   -0.7610    2.3828 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.0578    0.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    0.1872    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4921   -0.6650   -0.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    1.6481   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5515   -1.0551   -1.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6611    1.6169    1.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7461    1.0075   -0.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1859    1.7401   -0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1742   -0.6091    1.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1629    0.1482   -0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2037   -0.9694    2.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5187   -0.1517    1.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2478   -1.7157   -0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0736   -0.4139   -1.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5952   -0.5713   -1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2048    1.9370    0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    1.8509   -1.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4751    2.2579    0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5286   -2.1181   -0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5937   -0.8189   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9471   -1.0192   -1.9334 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