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
    5.1640    0.2659    1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4551   -0.8187    0.5787 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987   -0.6232    0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6473    0.5123    0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437   -1.7198   -0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1262   -1.7274   -0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687   -0.6583   -0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825    0.5138   -0.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1516   -0.8744   -1.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.1542   -1.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197    0.7449    0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4492    1.8496   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0741   -0.3439    1.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9062    0.6166    0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7582    0.0153    2.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4823    1.0889    1.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989   -2.7062   -0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7511   -2.7191   -1.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0388   -0.2321   -1.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7477    1.0400   -1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5412    1.1600    0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8813    2.7699   -0.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0212    1.5774   -0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0915    1.9984    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1234   -0.0854    1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0184   -1.3377    0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5558   -0.4607    2.0366 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