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
    5.8212    0.1502    0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4191   -0.0445    0.1765 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6201    0.6447   -0.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1735    1.4409   -1.5086 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    0.4011   -0.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6237   -0.4447    0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1758   -0.6981    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727   -1.5229    0.9401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7011   -0.0952   -0.7152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0332   -0.1071   -0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832    0.3934    0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4314    0.2830   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0030   -0.4769    1.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1310    0.5666   -0.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3722   -0.8028    0.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0427    0.8449    1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5806    0.9370   -1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429   -0.9742    0.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4216   -1.0976   -1.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2193    0.5719   -1.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8233    1.4566    0.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6851   -0.7974   -0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1262    0.7443    0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5032    0.7836   -1.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0393   -0.4059    1.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2438   -0.1961    2.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9062   -1.5547    1.1214 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