Monomers

1-O-methyl 4-O-(2-methylpropyl) (E)-but-2-enedioate

Identifiers

IUPAC name
1-O-methyl 4-O-(2-methylpropyl) (E)-but-2-enedioate
InchI
InChI=1S/C9H14O4/c1-7(2)6-13-9(11)5-4-8(10)12-3/h4-5,7H,6H2,1-3H3/b5-4+
InchI Key
ZSTXFWIDBPYIFZ-SNAWJCMRSA-N
SMILES
COC(=O)/C=C/C(=O)OCC(C)C
Canonical SMILES
CC(C)COC(=O)C=CC(=O)OC
Isomeric SMILES
CC(C)COC(=O)/C=C/C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H14O4
Heavy Atom Count
13
Molecular Weight
186.207
Exact Molecular Weight
186.0892
Valence Electrons
74
Radical Electrons
0
tPSA
52.6
MolLogP
0.9148
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

 27 26  0  0  0  0  0  0  0  0999 V2000
    5.6670   -0.7114    0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3123   -0.7288   -0.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102    0.2062    0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    1.1073    1.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100    0.2344   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1921    1.1554    0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2187    1.1833    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    2.0941    0.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8040    0.2950   -0.8122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0601    0.1039   -1.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1744   -0.2693   -0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4968    0.7131    0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9376   -1.6030    0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1463    0.2806    0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7817   -0.8705    1.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2389   -1.4871   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6579   -0.5354   -0.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5622    1.9134    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    0.9922   -1.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -0.6758   -2.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0952   -0.3996   -1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5517    0.4556    1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5590    1.7388    0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084    0.5298    1.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   -1.8423    0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -1.5116    1.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7623   -2.3682   -0.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  6 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers