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
    5.4756    1.3400   -0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660    0.8468   -0.0758 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9418   -0.2016    0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098   -0.6804    1.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6031   -0.7310    0.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5776   -0.2419    0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -0.7888    0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556   -1.7447    1.3003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -0.2993   -0.1626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1490   -0.8813    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236   -0.1162   -0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0908    1.3186   -0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4923   -0.7418   -0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7131    1.9879    0.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290    1.9250   -1.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2409    0.5391   -0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4474   -1.5509    1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7421    0.5804   -0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1777   -1.9310   -0.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4420   -0.7906    1.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883   -0.2077   -1.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0968    1.5383    0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8530    1.5964    0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2046    2.0267   -1.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1629   -0.3716   -1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3516   -1.8385   -0.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8608   -0.5819    0.3604 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