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
    6.1548   -0.1922   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9254    0.2426    0.3099 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6955   -0.1737   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816   -0.9972   -1.1186 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4923    0.3532    0.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016   -0.0211    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0756    0.5023    0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966    1.3183    1.5474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1770    0.1376    0.1868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334    0.6957    0.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5873    0.1388    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6691    0.4603   -1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7058   -1.3318    0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727   -0.6668   -1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6730   -0.8848    0.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7769    0.7287   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5814    1.0563    1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2481   -0.7352   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2769    0.3421    1.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3148    1.7882    0.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4506    0.6471    0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6124    1.5666   -1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9051   -0.0294   -1.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6837    0.1741   -1.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7530   -1.5869    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3899   -1.9564   -0.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0165   -1.5767    1.3069 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