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
    6.0548   -0.6146    1.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150   -1.1154    0.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726   -0.3564    0.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7232    0.7961    1.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151   -0.8826    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.1995    0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0571   -0.8035   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1242   -1.9704   -0.7197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1636   -0.1898   -0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3531   -0.7867   -0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5363    0.1216   -0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7175    0.4483    0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4332    1.3508   -1.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0796    0.4651    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8874   -1.0689    0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1721   -0.8548    2.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228   -1.9000   -0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2544    0.7850    0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5914   -1.7287   -0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1537   -1.0690   -1.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4381   -0.4615   -0.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9532   -0.4854    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5988    1.1132    0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7900    0.8677    1.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2764    1.3977   -2.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4573    2.2890   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4947    1.3209   -2.0740 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