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
    6.5576   -0.1045   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1332   -0.6015   -0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1358    0.5216   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8438   -0.0576   -0.2445 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    0.6942   -0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8308    1.9205    0.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3561    0.0775   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6884    0.8652   -0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0200    0.2688   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1745   -0.9505   -0.4169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1430    1.0585   -0.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4201    0.5212   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7262   -0.5522    0.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1654   -1.0007    0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6497    0.7141    0.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9060    0.1927   -1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2046   -0.9508    0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9271   -1.3532    0.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9114   -1.0886   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035    1.2862   -0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    1.0579    0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148   -0.9555   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5809    1.9420    0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1475    1.3556    0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6478    0.0894   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1071   -1.4445    0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6960   -0.1678    1.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8876   -0.2969    1.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2547   -1.0130   -0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2856   -2.0281    0.9343 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