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
    6.0010    0.8620   -0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6800    0.7104   -0.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6952    0.1785    0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9905   -0.1741    1.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3350    0.0352   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3822   -0.4682    0.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0479   -0.5898   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -0.2360   -1.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9594   -1.1146    0.6877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2839   -1.2866    0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9566   -0.0007   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0002    0.9941    1.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3900   -0.3169   -0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4397    1.7316   -0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.9755    0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5886   -0.0381   -0.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1369    0.3551   -1.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067   -0.7721    1.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498   -1.7082    1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3988   -2.0001   -0.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792    0.4319   -1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0004    1.3200    1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5685    0.5072    1.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5659    1.8856    0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5022   -0.3915   -1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0986    0.4157   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6766   -1.3056   -0.0821 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