Monomers

2-Butenedioic acid (2E)-, 1,4-dipropyl ester

Identifiers

IUPAC name
dipropyl (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InchI Key
DSTWFRCNXMNXTR-AATRIKPKSA-N
SMILES
CCCOC(=O)/C=C/C(=O)OCCC
Canonical SMILES
CCCOC(=O)C=CC(=O)OCCC
Isomeric SMILES
CCCOC(=O)/C=C/C(=O)OCCC
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
1.449
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
    5.9035   -0.0994   -1.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    0.2796   -0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6248   -0.9689   -0.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2550   -0.7858   -0.7823 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4571    0.0892   -1.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193    0.7691   -2.3948 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0277    0.2162   -1.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5895   -0.4689   -0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0251   -0.2824   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6435    0.5449   -0.8194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7426   -0.9573    0.8318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0476   -0.9506    1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6342    0.2711    1.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6519    1.5067    1.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0160   -0.3357   -2.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5517    0.7628   -0.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1194   -0.9872   -0.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3959    0.6650    0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1843    1.0137   -1.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9688   -1.7245   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8563   -1.3626   -1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350    0.9220   -1.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0607   -1.1717    0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968   -1.8414    1.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7618   -1.2141    0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1161    0.4338    2.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6946    0.0091    2.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0281    1.3790   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3996    2.2447    1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6928    2.0434    1.1200 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  7 22  1  0
  8 23  1  0
 12 24  1  0
 12 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