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
    4.3703   -0.9388    0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8694    0.3290   -0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    0.2252   -0.3508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8715    0.2806   -1.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6104    0.4205   -2.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4291    0.1787   -1.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078    0.0332   -0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7529   -0.0707   -0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780   -0.0311   -1.8596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4898   -0.2229    0.3881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9007   -0.3331    0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2400   -1.6846    0.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4664    0.8001    1.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1766    1.5303    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7370   -1.7765    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2314   -0.7951    1.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4495   -1.1050    0.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3481    0.4472   -1.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    0.2182   -2.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710   -0.0073    0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2390   -0.2739   -0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2771   -1.9967    0.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0212   -1.6838    2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5634   -2.4186    0.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7358    1.6352    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3763    1.2037    0.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6578    0.5324    2.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898    1.2554    1.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3695    2.2997    0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1849    1.9486    0.3700 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