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
    5.5631   -0.2066   -1.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902   -0.0203   -1.0476 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5791   -0.4659    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693   -1.0712    0.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1572   -0.2346    0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4449    0.4035   -0.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    0.6411   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6492    1.2443   -1.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5745    0.2047    0.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8492    0.2455    1.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8296   -0.5959    0.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0654   -0.2901   -0.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1436   -0.5307    1.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8927   -1.1414   -0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1657    0.6320   -0.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7003   -0.2396   -2.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.5789    1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8932    0.7690   -1.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8529   -0.1108    2.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309    1.3115    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4406   -1.6633    0.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2318    0.7772   -1.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3501   -0.7181   -1.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0475   -0.8014   -1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9134   -0.4477    2.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6509    0.3982    0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7218   -1.4381    1.0685 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