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
    6.1430    0.8834    0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9299    0.3153    0.6797 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7017    0.5491    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224    1.2859   -0.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4992   -0.0630    0.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3313    0.1642    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148   -0.4306    0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2006   -1.1669    1.6070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1325   -0.2322    0.0453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -0.8438    0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5356   -0.5184   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4892   -0.9692   -1.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9111    0.9366    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7138    1.2632    1.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6891    0.1026   -0.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8504    1.6887   -0.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5832   -0.7057    1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3014    0.8027   -0.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3507   -0.6562    1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141   -1.9555    0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3365   -1.1129    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4454   -0.6083   -2.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6012   -0.6280   -2.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4548   -2.0935   -1.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3334    1.3123   -0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0447    1.5756    0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6797    1.1047    0.8104 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