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
    4.5851    1.1602    0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8463    0.5982   -0.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5230    0.2688   -0.3424 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4435    0.8728   -0.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7036    1.7568   -1.8131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109    0.4446   -0.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1111   -0.4950    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4302   -0.9340    0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6805   -1.8178    1.4781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5156   -0.3345    0.0113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8514   -0.7054    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5101    0.5431    0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6278   -1.0628   -0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5424   -0.5984   -1.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6729    1.1118    0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3296    2.2227    0.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4476    0.5690    1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8422    1.4090   -1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    0.9129   -1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -0.9526    0.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9191   -1.5000    1.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9410    0.8637    1.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4051    1.3395    0.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5812    0.3937    1.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3856   -2.0566   -1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793   -0.2362   -1.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7087   -1.0961   -0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7785   -1.2386   -1.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2604   -0.3171   -1.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0526   -1.1216   -0.3546 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