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
   -5.4839   -1.0466    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2045   -0.5086   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9834    0.7802   -0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9940    1.4223   -0.8496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6270    1.2738   -0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034    0.5404   -0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280    0.9942   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115    2.1394   -0.7656 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8429    0.2254    0.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703    0.7058   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -0.3354    0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9700   -1.5622   -0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5767    0.1314    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1862   -0.3506    0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3803   -1.9940    0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8973   -1.3075   -0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545    2.2583   -0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560   -0.4736    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    0.9451   -1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2902    1.5900    0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395   -0.6498    1.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5663   -2.4051    0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8689   -1.7942   -0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2615   -1.2845   -1.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    1.0126    0.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7059    0.3804   -0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2462   -0.6871    0.6124 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