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
    4.5499   -0.7173   -1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8669   -0.5658    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358   -0.1371    0.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127   -0.8966    0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8418   -1.9627    1.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148   -0.4944    0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950    0.6260   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5856    0.9986   -0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050    2.0496   -0.7912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5520    0.2036    0.3539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9216    0.5065    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4168    0.7406    1.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6368   -0.5987   -0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    0.4801    1.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7459   -0.9870   -1.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9778    0.2669   -1.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2809   -1.5334   -1.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962   -1.5068    0.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345   -1.1328    0.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6064    1.2288   -0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0231    1.4777   -0.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4741    0.4308    1.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3090    1.8008    1.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7633    0.1609    2.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0265   -1.5204   -0.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6713   -0.3302   -1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6820   -0.7454   -0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9857    1.3037    0.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8703    0.8626    1.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4102   -0.0085    1.6168 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