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
    5.0391    0.7207    1.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304    0.4602    1.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8558   -0.3027    0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714   -0.7273   -0.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269   -0.6011   -0.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4961   -0.1332   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2497   -0.4309   -0.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664   -1.1238   -1.9539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    0.0418   -0.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1370   -0.2701   -1.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    0.3277   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069    1.8173   -0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448   -0.2472    0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8031    1.3188    2.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6198   -0.1860    2.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7020    1.3694    1.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6482   -1.2002   -1.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4725    0.4595    0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0927    0.1183   -2.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2079   -1.3737   -1.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2728    0.1134   -1.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450    2.1086   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7829    2.1914    0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1819    2.3446   -0.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3314    0.4289    1.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1010   -1.2549    0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7237   -0.3443    1.4097 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