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
   -4.8241    0.4134    1.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2854    0.2933    0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9612    0.8430    0.2914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8735    0.0324    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224   -1.1965   -0.1887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5077    0.4995   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4952   -0.3043   -0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677    0.1833   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1632    1.3881   -0.0673 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428   -0.6666   -0.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784   -0.2434   -0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0420   -1.0378    0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9360   -0.5524   -1.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1760    0.9941   -0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5603    1.2436    1.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3704   -0.5089    2.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9861    0.5279    2.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2325   -0.7948    0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3148    1.5420    0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888   -1.3460   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4052    0.8377   -0.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0280   -1.3674    0.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1584   -0.4161    1.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4804   -1.9500    0.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9978   -0.8853   -1.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4386   -1.4182   -2.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8766    0.3198   -2.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2328    0.8918   -0.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0460    0.6059   -1.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9057    2.0718   -0.7181 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