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
   -5.4982    1.7988    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1948    1.2208   -0.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0901   -0.1628    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1219   -0.8417    0.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7624   -0.8168   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.1059   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3736   -0.7759   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3546   -2.0356   -0.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8293   -0.0437   -0.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0095   -0.8141   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    0.0161   -0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269    0.9610    0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4361   -0.9567   -0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8012    2.2298   -0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4655    2.6137    0.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2627    1.0366    0.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7018   -1.8806    0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7205    0.9631   -0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565   -1.4398   -1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524   -1.5211    0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3088    0.5700   -1.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685    1.9438    0.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979    0.4940    1.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5175    1.1304    0.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399   -0.4988   -0.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6731   -1.1809    0.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1384   -1.9037   -0.8386 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