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
    5.7336   -1.4993   -0.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3205   -0.9506   -0.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2457    0.4457   -0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794    0.9887   -0.6167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343    0.4425   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -0.5843    0.6226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5522    1.0776   -0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5328    0.5484    0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134    1.1629   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    2.1907   -0.8025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9530    0.5978    0.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384    1.1553    0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2105    0.2455    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1166   -1.1586    0.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6697   -2.5971   -0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3938   -1.1078   -1.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0195   -1.1316    0.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2197   -0.9600   -2.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285   -1.6681   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9665    1.0968   -0.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5902    0.5111    0.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4556    1.9645   -0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4446   -0.3373    0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5332    1.1722   -0.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2813    2.1796    0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8836    0.2561    2.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2410    0.5956    0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1946   -1.9005    1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1662   -1.3674   -0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9553   -1.3683   -0.2537 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