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
    5.5081    0.8557    1.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1876    0.5991    0.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7617   -0.6245    0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5579   -1.5778    0.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3923   -0.7892   -0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4928    0.1832   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1303   -0.0617   -0.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1751   -1.1970   -1.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8501    0.9059   -0.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1774    0.6891   -1.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8893   -0.3734   -0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9229    0.0462    1.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2927   -0.4904   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2078    0.6389    0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7610    0.2069    1.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783    1.9253    1.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -1.7775   -0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561    1.1646    0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7141    1.6562   -1.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2028    0.4142   -2.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4063   -1.3463   -0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207    0.1100    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3752    1.0807    1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5585   -0.6685    1.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6158   -1.5684   -0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3100   -0.1307   -1.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0126    0.1295   -0.3023 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