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
   -5.2651   -0.3443   -1.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4681   -0.1088   -0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3009    0.7112    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0981   -0.0016    0.0579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    0.5856    0.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9632    1.7062    1.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302   -0.0677    0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540    0.5272    0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762   -0.0875    0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554   -1.1998    0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867    0.5814    1.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1807    0.0700    1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6482   -0.1836   -0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0636   -0.7341   -0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2849   -1.4431   -1.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3201    0.0549   -2.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1020    0.1557   -2.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3883    0.4680   -0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4918   -1.0591    0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2402    1.6464   -0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4687    0.9756    1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5972   -1.0534   -0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3564    1.4899    1.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8701    0.8646    1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522   -0.8163    1.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6539    0.7458   -0.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0271   -0.9116   -0.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5928   -0.2360    0.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6308   -0.5185   -1.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857   -1.8171   -0.1454 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