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
    6.1103    0.6070    1.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0406    0.6543    0.3117 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554    0.3248    0.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302   -0.0075    1.9593 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102    0.3568   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    0.0307    0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903    0.0734   -0.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4317    0.4051   -1.7976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9949   -0.2512   -0.1821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0562   -0.1945   -1.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3157   -0.6050   -0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5330   -0.5871   -1.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4537    0.3705    0.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7508    1.5121    1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7673    0.6027    2.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6940   -0.3322    1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7729    0.6468   -1.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2845   -0.2529    1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8923   -0.8569   -1.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1698    0.8474   -1.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1255   -1.6328    0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630   -0.0643   -2.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7965   -1.6425   -1.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4296   -0.1710   -0.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7965    1.2576    0.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1369   -0.1099    1.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5025    0.7709    0.8749 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