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
    5.6450   -0.1112    1.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3440    0.2117    1.2648 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5129   -0.6661    0.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -1.8244    0.3716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639   -0.3152    0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3983   -1.1853   -0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0262   -0.8026   -0.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993   -1.6281   -1.4925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4633    0.4266   -0.6396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6580    1.0542   -0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8845    0.5843   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0509    1.5040   -0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3457   -0.7975   -0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2896    0.7783    1.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7205   -0.3177    2.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0871   -0.9625    1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7993    0.6746    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7106   -2.1787   -0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9095    1.0235   -2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5679    2.1778   -0.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7805    0.7779    0.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8855    1.2569    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6660    2.5312   -0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2479    1.2043   -1.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8214   -1.6037    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4525   -0.8311   -0.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2577   -0.9811   -1.5687 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