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
    5.6574    0.2034   -0.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2452    0.0351   -0.6290 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794   -0.2619    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2378   -0.3730    1.6123 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1374   -0.4420    0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628   -0.3250   -0.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -0.4925   -0.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128   -0.3754   -1.7196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542   -0.7941    0.4878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1376   -0.9607    0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8973    0.2386   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3840   -0.1417    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6636    1.4652    0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0900   -0.4537    0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1300   -0.0310   -1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236    1.2652   -0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5867   -0.6778    1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833   -0.0941   -1.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734   -1.1713    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4547   -1.8222   -0.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6876    0.4925   -1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0166    0.7476   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6580   -0.6165    0.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5689   -0.8593   -0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3435    1.5208    1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7758    2.4090    0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6244    1.5148    1.2093 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