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
    6.0473   -0.6270    0.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7472   -0.8135    0.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -0.0064    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8944    0.9156    1.1759 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3452   -0.2098   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3608    0.5805    0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0441    0.3762   -0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1977   -0.5338   -1.2454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9857    1.2104   -0.0402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3043    1.0994   -0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9275   -0.2310   -0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3291   -0.2401   -0.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0542   -0.3946    1.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377    0.0751    1.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4646   -1.6145    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6587   -0.1729   -0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723   -0.9968   -0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5179    1.3916    0.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3823    1.3206   -1.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9014    1.8810   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812   -1.0855   -0.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9596    0.5599   -0.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2934   -0.0094   -1.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8607   -1.1888   -0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0995   -0.1518    1.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8799    0.2926    1.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098   -1.4268    1.5092 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