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
    6.0052   -0.8970   -0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6316   -0.7679   -1.0224 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929   -0.2049   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0509    0.2126    0.9242 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961   -0.0931   -0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4105    0.4493    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    0.5574   -0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2754    0.1223   -1.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9085    1.1091    0.5774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464    1.2684    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0651    0.0334    0.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657   -1.0042   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5284    0.4949    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1423   -1.6525    0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5327   -1.2523   -1.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4477    0.0932   -0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9809   -0.4528   -1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810    0.8215    1.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3663    1.7710   -0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7186    1.9769    1.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0357   -0.4179    1.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793   -1.7183   -0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9435   -1.7082   -0.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7651   -0.6269   -1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5456    1.4588   -0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9821    0.6855    1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0673   -0.2584   -0.5155 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