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
    5.6386    0.1860    0.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2610    0.0408    0.6200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793    0.8210   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3823    1.6392   -0.9655 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2577    0.6822   -0.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864   -0.1824   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0774   -0.2744   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212    0.4510   -1.3215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7919   -1.1639    0.1998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1456   -1.2952   -0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9464   -0.0326    0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3946   -0.3415   -0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8433    0.4986    1.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8310    1.0871    1.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522   -0.7033    1.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2582    0.3278    0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334    1.2963   -1.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322   -0.7947    0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5603   -2.1028    0.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3283   -1.6181   -1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6217    0.7592   -0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5729   -1.4336   -0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0751    0.2107    0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6223   -0.0506   -1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307    1.6014    1.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7721    0.3384    2.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9633    0.0535    2.0407 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