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
    5.7769    0.7002   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3771    0.5417   -0.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640   -0.4153    0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3175   -1.1661    1.2058 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351   -0.5466    0.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5870    0.2609   -0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1268    0.1570   -0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4561    0.9401   -1.4575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6385   -0.7466   -0.0172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686   -1.0309    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9407   -0.0254    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3237   -0.7234    0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1053    1.2097   -0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9959    1.6189    0.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2643    0.8017   -1.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1686   -0.1477    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7110   -1.2947    0.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0940    1.0176   -1.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3849   -1.4129   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961   -1.9322    0.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8204    0.2158    1.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4122   -0.9844   -0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1118   -0.0047    0.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3313   -1.6436    0.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1325    0.9394   -1.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4457    2.0475   -0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1505    1.6239   -0.1240 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