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
    6.2948    0.0013   -0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1001   -0.6199   -0.1028 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8465   -0.1099   -0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7818    0.9372   -1.0526 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6163   -0.7020    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550   -0.1651   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860   -0.7400    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868   -1.7848    0.9887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0086   -0.1556   -0.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2753   -0.6362    0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3509    0.2797   -0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2217    1.6830    0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6857   -0.3288    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1415    0.4203   -1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.6991   -0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4680    0.8691    0.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6509   -1.5951    0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4327    0.7345   -0.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261   -0.6636    1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4158   -1.6692    0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515    0.2508   -1.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2425    2.1065    0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6441    1.7834    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8151    2.3250   -0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0585    0.0357    1.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4271   -0.1466   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5651   -1.4105    0.2653 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