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
    5.8042    0.2548    0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4306   -0.0209    0.4886 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0464   -0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219    0.3719   -1.6686 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -0.2342   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2715   -0.1481   -1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1604   -0.4200   -1.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407   -0.3371   -2.2365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880   -0.7840   -0.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -1.0566    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9446    0.1006   -0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5802    1.2582    0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3727   -0.3135    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9700    1.1630   -0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2173    0.4941    1.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3483   -0.5667   -0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313   -0.5125    0.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558    0.1383   -2.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3840   -1.9718   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2094   -1.2870    1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9358    0.3861   -1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8424    2.1975    0.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1300    1.1299    1.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4832    1.3032    0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6187   -1.3140   -0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0292    0.4172   -0.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5735   -0.2951    1.2186 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