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
    5.6107   -0.6808    1.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065   -0.8011    0.9441 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485   -0.3007   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0653    0.3124   -1.0084 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043   -0.4463   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2747    0.0347   -1.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1802   -0.1043   -1.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7971    0.3845   -2.1306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123   -0.7427   -0.2069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614   -0.9794   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1899    0.1545    0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8299    0.9790    1.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4673    1.0009   -1.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678   -0.8470    2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1421   -1.4062    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8798    0.3673    0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5119   -0.9691    0.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7663    0.5555   -1.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6499   -1.7075   -0.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3543   -1.6164    0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1862   -0.3457    0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6707    0.2583    2.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8711    1.5048    1.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6631    1.6750    1.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5136    1.4591   -0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4480    0.4071   -1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7829    1.8541   -1.1605 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