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
   -4.7911   -0.1164   -0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9677   -0.2118    0.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6175    0.0757    0.2821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705   -0.8026    0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8640   -1.9472    0.9157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1815   -0.4655    0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400    0.6854   -0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6519    0.9313   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063    2.0347   -0.7827 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6093   -0.0524   -0.1064 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9863    0.1766   -0.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8003    0.0219    0.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4476   -0.7280   -1.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5868    0.6985    1.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500   -1.0593   -1.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8593    0.0479   -0.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4859    0.7170   -1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0714   -1.2528    0.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5648   -1.2455    0.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615    1.4703   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1009    1.2183   -0.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3433   -0.9658    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5737    0.7869    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1937   -0.0635    1.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3328   -0.2432   -1.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523   -0.7395   -2.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6700   -1.7503   -1.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1306    1.7200    1.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2634    0.3075    2.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6720    0.7519    1.4669 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