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
    5.5202   -0.2404    0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898   -0.1674    0.3469 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901   -0.2865   -0.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437   -0.4658   -1.7884 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -0.2151   -1.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987   -0.0275   -0.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1556    0.0458   -1.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0615   -0.0679   -2.4627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8978    0.2419   -0.3821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2451    0.3273   -0.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0672    0.5464    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5146    0.6378    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8437   -0.6384    1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2630    0.0180    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7714   -1.2152    1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6416    0.5853    1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   -0.3196   -2.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820    0.0711    0.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023    1.1770   -1.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428   -0.6542   -1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7054    1.4591    0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9652    1.5471    0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1120   -0.2440    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6328    0.6597   -1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7953   -1.2083    1.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0416   -1.2621    1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5723   -0.3041    2.4398 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