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
   -4.5383   -0.1551    0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7999   -0.5886   -0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4455   -0.1826   -0.6782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9119    0.6981   -1.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6639    1.1612   -2.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071    1.0470   -1.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395    0.5321   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6672    0.8593   -0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2224    1.6583   -1.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    0.3193    0.5845 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7945    0.5584    0.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6438   -0.6914    0.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002    1.1898    2.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9514   -2.0791   -0.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8217   -0.1065    1.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9608    0.8528    0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3477   -0.8274    0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2794   -0.0669   -1.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0579    1.7382   -2.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1900   -0.1466    0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    1.2834    0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2305   -1.3287   -0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6966   -0.4211    0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6647   -1.2197    1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120    1.0794    2.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5269    0.7897    2.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9436    2.3041    2.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9292   -2.3829   -0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9638   -2.3608   -1.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1503   -2.6557   -0.3891 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