Monomers

Dipropyl maleate

Identifiers

IUPAC name
dipropyl (Z)-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-WAYWQWQTSA-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
   -4.7746    0.9648    0.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9323   -0.2480   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0802   -1.3664    0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7170   -1.0195    0.4871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9597   -0.6626   -0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676   -0.6280   -1.7187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.3242   -0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2220    0.0252   -1.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    0.3500   -1.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    0.6879   -2.0986 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785    0.3097    0.1120 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5155    0.6308    0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5050   -0.2092   -0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8959    0.3340   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7121    1.1220    1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9688    0.8039    1.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6023    1.8515    0.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9978   -0.5667   -0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6511   -0.0429   -1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2700   -2.2898   -0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3889   -1.5957    1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1119   -0.3571    0.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1618    0.0736   -2.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7438    1.7098    0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403    0.5161    1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4458   -0.2078   -1.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4605   -1.2807   -0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024   -0.5081   -0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9196    0.7906    0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1282    1.1370   -0.8310 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