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
   -5.6560    1.4269   -0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1287    1.4672   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6595    0.0385   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2365   -0.0017   -0.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5090   -1.1520    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0649   -2.2406    0.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0372   -1.0904   -0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009   -2.1741   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427   -2.1011   -0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8776   -3.0952   -0.0406 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308   -0.8660   -0.3471 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1180   -0.7683   -0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    0.6569   -0.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    1.5467    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1156    0.9321   -0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8500    0.8516    0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0841    2.4288    0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8167    1.8777   -1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7725    2.0842    0.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483   -0.5439   -0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428   -0.4261    0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4666   -0.1431   -0.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2529   -3.1414    0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5897   -1.1984    0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4802   -1.3627   -1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1060    1.0154   -1.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6662    0.7242   -0.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9364    0.9322    1.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335    2.0928    0.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9956    2.2298    0.7215 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