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
   -5.8479    0.6686    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4339    0.8715    0.2909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6415   -0.2111   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2067   -1.3286   -0.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2180   -0.0431   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4354   -1.0408   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197   -0.8838   -0.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515   -1.8499   -0.9655 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6019    0.3164   -0.4334 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897    0.7675   -0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    0.2620    0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2076    1.0150    0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2418   -1.1777    0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3902    1.1650   -0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0998   -0.4207    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2068    0.9844    1.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7566    0.9181   -0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8585   -2.0010   -0.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    0.6560   -1.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8438    1.8940   -0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6952    0.5637    1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1461    2.0629    0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0236    0.4546    0.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2703    0.9980   -0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328   -1.8381    1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2550   -1.2447    1.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683   -1.5584   -0.5432 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