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
    5.4365   -1.6236   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1587   -1.0146   -0.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0254    0.3628   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0950    1.0106   -0.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7216    1.0065   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6506    0.2551   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3432    0.8922   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2777    2.1319   -0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8392    0.1894    0.1607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1062    0.8489    0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2141   -0.1448    0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5193    0.6245    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1921   -1.1426   -0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590   -2.5811   -0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773   -1.0044   -0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8224   -1.7706    0.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506    2.0709   -0.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7352   -0.8256    0.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1466    1.6179    0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2359    1.3163   -0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0797   -0.6314    1.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7707    1.0184   -0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3432    1.5263    1.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3287    0.0332    0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238   -2.1466   -0.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4438   -0.8795   -1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2096   -1.1400   -1.2417 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