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
    4.9370   -1.4130    0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847   -0.0480    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.2301    0.8560 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719    0.0580    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    0.5160   -1.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4776   -0.1338    0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4857    0.1647   -0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8651   -0.0441   -0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1401   -0.4984    1.1032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8976    0.2679   -0.9272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2283    0.0496   -0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9395    1.4065   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0088   -0.8197   -1.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9904    0.8596    1.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0090   -1.8103   -0.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9569   -1.3883    0.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040   -2.1520    1.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3934    0.3584   -0.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2518   -0.5225    1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2663    0.5579   -1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2597   -0.3557    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0894    1.7064   -1.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3564    2.1397    0.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9294    1.2033    0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2164   -1.7859   -0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4353   -1.0698   -2.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9667   -0.3616   -1.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5732    1.6181    0.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    1.4190    2.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6718    0.3082    2.1711 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