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
   -4.6209    1.0643    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6628   -0.3849   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7006   -1.2107    0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3769   -0.7512    0.5167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6548   -0.6890   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1948   -1.0672   -1.7113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2823   -0.1965   -0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2620    0.1940    0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6336    0.6857    0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765    1.0647    1.5211 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3657    0.7528   -0.6983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6902    1.2158   -0.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6392    0.3949    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6485   -1.0558   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1471    1.6909   -0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0540    1.1152    1.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6575    1.4262    0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7092   -0.7858   -0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3744   -0.4551   -1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7923   -2.2725    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069   -1.2353    1.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2685   -0.1538   -1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2865    0.1548    1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0631    1.2462   -1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7022    2.2532   -0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4121    0.5038    1.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6746    0.7694   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   -1.2794   -1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7024   -1.6670    0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556   -1.3278   -0.9663 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