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
    5.9783    0.6939   -0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4744    0.8173   -0.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9884   -0.3020    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5609   -0.1968    0.1250 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8771   -1.1042    0.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5185   -1.9884    1.5275 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4398   -1.0320    1.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -0.1218    0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -0.0689    0.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3262   -0.8950    1.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964    0.8799   -0.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8797    0.8973    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5932   -0.3395   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0854   -0.1028   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326   -0.3800   -0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3842    1.1747   -0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4002    1.1435   -1.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.7093   -1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2028    1.8101   -0.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2964   -1.2623   -0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3618   -0.1401    1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0813   -1.7483    1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.5951   -0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    1.2177    1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2639    1.7337   -0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3319   -1.2543    0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4092   -0.5003   -1.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5353    0.4278   -1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2018    0.4278    0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5699   -1.0914   -0.1090 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