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
    5.7047    0.5402   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596    0.1487   -0.2523 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2943    0.9438    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5100    2.1368    0.3788 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    0.4514    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146   -0.7968   -0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286   -1.2993   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0821   -2.4894   -0.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7365   -0.4747    0.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0447   -1.0136   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0023    0.0842    0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4026   -0.5191    0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8680    1.2183   -0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3289   -0.3760   -0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9319    1.2387    0.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0257    0.9583   -1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    1.0773    0.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291   -1.4620   -0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1564   -1.8919    0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2550   -1.2547   -1.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7908    0.4608    1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1524    0.1390    0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5937   -0.8108   -0.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3158   -1.4897    0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3989    2.1043   -0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769    0.9318   -1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    1.4443   -0.7575 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