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
    4.5405   -1.4984    3.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631   -0.9996    2.5676 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650   -1.4122    2.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141   -2.2886    3.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088   -0.8714    1.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4204    0.0455    0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.6266    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7099    1.4932   -0.7642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9214    0.2700    0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511    0.6152   -0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2532    0.3112   -1.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    0.9308   -2.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6087    0.9463   -2.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0435   -0.6300    3.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -2.1632    4.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2182   -2.1222    2.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0801   -1.2032    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4305    0.3960    0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3132    1.7253   -0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9174    0.0991    0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3702   -0.7926   -2.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7691    0.8538   -3.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    1.9811   -2.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3312    0.3432   -2.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4343    0.4045   -1.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6737    0.9810   -3.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5827    1.9587   -1.8921 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