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
    4.5555    0.8090   -1.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4744    0.0391   -0.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5535   -1.1891   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7756   -1.6254    0.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893   -2.0443    0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294   -1.8310    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5454   -0.6812   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700    0.3323   -0.6416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8623   -0.6280   -0.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5213    0.5186   -0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0157    0.2695   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7497    1.4779   -0.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1844    0.1273    1.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361    1.8745   -1.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3558    0.7275   -0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9415    0.5104   -2.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8152   -3.0424    0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830   -2.6301    0.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2498    1.4357    0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3016    0.6955   -1.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3416   -0.6753   -0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2990    1.8299   -1.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5799    2.2955   -0.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8289    1.2917   -1.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2200   -0.2545    1.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9682    1.0610    1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5025   -0.6942    1.5202 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