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
    5.5144   -0.6045    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -0.3090    0.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556    0.4581   -0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5121    0.8528   -1.3401 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2562    0.8031   -0.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988    0.3887    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104    0.7175    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4025    1.4137   -0.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9043    0.2765    1.1158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2635    0.5836    1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462   -0.0091   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3356    0.3030   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6896   -1.5294   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7380   -1.6723    0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1018   -0.3062   -0.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9389   -0.0220    1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9383    1.3984   -1.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7370   -0.2102    1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4022    1.7074    1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826    0.1474    1.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690    0.3619   -1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8661   -0.4767    0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5949    0.1110   -1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5608    1.3299   -0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010   -1.8572    0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6987   -1.8097   -0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5206   -2.0467   -0.6490 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