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
    5.4148   -0.7030   -0.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799   -0.4199   -0.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4818   -1.0746    0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259   -1.9123    1.4020 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0989   -0.7523    1.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4072    0.1313    0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057    0.4148    0.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239   -0.1932    1.6985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7649    1.3130    0.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0779    1.6902    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1478    0.6808    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1434    0.0959   -1.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3339   -0.3446    1.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4987   -1.6306   -1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9911   -0.8850    0.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8564    0.1487   -1.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6370   -1.2658    1.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8901    0.6275   -0.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2846    2.5281   -0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480    2.1921    1.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1231    1.2980    0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1013   -0.0428   -1.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6158    0.7986   -2.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6728   -0.8677   -1.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1644    0.0848    2.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4494   -0.5964    1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8248   -1.3159    0.9404 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