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
    5.8642    0.6211    0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9392   -0.4160   -0.0407 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5582   -0.1708   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    1.0007    0.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6747   -1.2768   -0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   -1.2830   -0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451   -0.2065   -0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7402    0.9738    0.0371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9442   -0.4179   -0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757    0.6293   -0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2687    0.0496   -0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3351    1.0915   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5109   -1.0158    0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6098    1.5263   -0.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8711    0.2864   -0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9696    0.8045    1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573   -2.2696   -0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9182   -2.2720   -0.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338    1.4703   -0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8389    0.9820    0.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3338   -0.4396   -1.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4827    1.6812   -1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3050    0.5886   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0478    1.7234    0.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7459   -0.4639    1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -1.5766    0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3760   -1.6205    0.3920 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