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
   -4.5093   -1.3023    0.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6576   -0.2589   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2834    1.0987    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9480    1.1785    0.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558    0.9265   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1239    0.6165   -1.4010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853    1.0090    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156    0.7619   -0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101    0.8261   -0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1464    1.1358    1.0826 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696    0.5723   -0.9417 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3204    0.6276   -0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6659   -0.3357    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3776   -1.7769    0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6372   -0.7663    1.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140   -1.7518    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2648   -2.0850    0.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7520   -0.2186   -0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1557   -0.5214   -1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0108    1.3950    0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4317    1.8148   -0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2654    1.2723    1.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108    0.4972   -1.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    1.6280   -0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.3259   -1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1966   -0.0948    1.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7663   -0.2844    0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3144   -2.0062    0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0278   -2.4327    0.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7897   -1.8511   -0.9259 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