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
    6.1561   -0.3337    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6746   -0.5072   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9371    0.6029    0.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5506    0.5983    0.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -0.4538    0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3144   -1.4386    1.2622 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979   -0.4694    0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2952    0.5468   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7506    0.5138   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334    1.4750   -0.8860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5121   -0.5745    0.0589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8869   -0.6052   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6736    0.4721    0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1565    0.2765    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3356    0.7778    0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8145   -0.8735   -0.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2900   -0.5970    1.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3951   -1.5162    0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6313   -0.4703   -1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950    0.5841    1.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261    1.5611    0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2707   -1.3185    0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2318    1.4353   -0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2726   -1.5866    0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1676   -0.6174   -1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4196    1.4734    0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5548    0.4895    1.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3208   -0.7567   -0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4904    0.9685   -0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7729    0.3438    1.0886 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