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
    5.7385    0.3482    0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3473    0.2233    0.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -1.0366    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5824   -2.0230    0.2815 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3612   -1.1924    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5888   -0.1381   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212   -0.2624   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4039   -1.3892   -0.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6961    0.8177   -0.2559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0263    1.0254   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9999    0.5617    0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4154    0.9926    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1036   -0.9343    0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9972    1.4371    0.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0584    0.0179    1.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3246   -0.1653   -0.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575   -2.1812   -0.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386    0.8367    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4105    0.6660   -1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1640    2.1542   -0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9005    1.0492    1.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5966    2.0445    0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4056    0.8742   -0.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1769    0.2940    0.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3815   -1.3914    1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1667   -1.2084    1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0548   -1.4205   -0.2464 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