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
    4.9275    0.5999    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7357   -0.7824   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0362   -0.5688   -1.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7849    0.0575   -1.2111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538   -0.4813   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897   -1.5888    0.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4871    0.2090   -0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5036   -0.2946    0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7728    0.4109    0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9619    1.5341   -0.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8182   -0.1105    1.2052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0714    0.5011    1.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    0.6515    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8566   -0.7660   -0.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8106    1.0688    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412    1.2109    0.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0691    0.4674    1.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -1.4419    0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7380   -1.2140   -0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033   -1.5441   -1.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6543    0.0848   -2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3646    1.1584   -0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4048   -1.2398    0.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7011   -0.1993    1.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9515    1.4821    1.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7304    1.1192    0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1659    1.2720   -0.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4102   -1.4007    0.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4329   -0.7554   -1.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8490   -1.2122   -0.6524 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