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
    5.5831   -0.8881   -1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2067   -0.5208   -1.1665 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4713   -0.2819   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0425   -0.3957    1.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0752    0.0923   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433    0.3269    0.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0865    0.7082    0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317    0.9197    1.9677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7363    0.8408   -0.2652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0198    1.1666   -0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454    0.2980   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0489   -1.1119   -0.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5344    0.3628    1.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9338   -1.3596   -2.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2115    0.0000   -0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7599   -1.6240   -0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5803    0.1905   -1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650    0.2486    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0648    1.2823   -1.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066    2.2165   -0.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0650    0.7213   -0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3229   -1.7275   -0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8439   -1.0648   -1.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0411   -1.5823   -0.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3434    1.3730    1.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0295   -0.4149    1.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6521    0.2239    1.3453 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