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
   -5.8032    0.1860   -0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4057    0.0437   -0.4132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7770   -0.5008    0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5268   -0.8445    1.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3188   -0.6553    0.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5535   -0.2883   -0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0952   -0.4770   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3331   -0.9788    0.9501 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925   -0.1452   -1.0626 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454   -0.2383   -1.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0016    0.5388   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636    0.1775   -0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9388    0.1608    1.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0274    1.1875   -0.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2370    0.2021    0.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3098   -0.6248   -1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9191   -1.0909    1.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820    0.1292   -1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516    0.0922   -2.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349   -1.3000   -1.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220    1.6183   -0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7290    0.6549   -1.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1090    0.4809    0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4663   -0.9250   -0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9561   -0.9386    1.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1895    0.7041    1.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9221    0.4725    1.7856 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