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
    5.5478   -1.1459    0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2088   -0.6918    0.3349 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4588   -0.5998   -0.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -0.9256   -1.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0871   -0.1271   -0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.2182    0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    0.6837    0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3434    1.0037    1.5705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    0.8003   -0.6553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906    1.2485   -0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8883    0.3786    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3051    0.8944    0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060   -1.0418   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573   -1.2855   -0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1712   -0.3245    0.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6308   -2.0807    0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4707   -0.0436   -1.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234    0.1414    1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822    2.2989   -0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3965    1.3366   -1.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5673    0.3929    1.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3104    1.9052    0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7129    0.9156   -0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9445    0.2601    0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6694   -1.7669    0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9378   -1.1859   -1.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7114   -1.2593   -0.9335 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